CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

CFam Family Information

CFAM Family ID CFFCD604
Family Name BIBT986 family
No. of Seeds 7 No. of Other Members 96
Family Centroid CFAMM00166179 Functional Category Clinical Trial Drug with Natural Product
Superfamily BIBT986 Superfamily
Class Class 716

Cousin Family NamesSeedsMembers
Leutinizing-hormone-releasing hormone inhibitor peptide Leupro... 43 911
Vasopressin V1a receptor and Vasopressin V2 receptor Ligand be... 4 301
Gamma-aminobutyric acid A receptor Ligand imidazopyridine deri... 5 644
Mast/stem cell growth factor receptor Kit and Abelson tyrosine... 6 537
5-hydroxytryptamine receptor Ligand Ramosetron Family 10 219
Alpha-2 adrenergic receptor Ligand Dexmedetomidine Family 32 639
Parathyroid hormone/parathyroid hormone-related peptide recept... 55 256
Type-1 angiotensin II receptor Ligand Candesartan Family 3 75
Type-1 angiotensin II receptor Ligand Telmisartan Family 4 181
Tubulin beta chain Inhibitor Mebendazole Family 12 84
Peptide deformylase, mitochondrial inhibitor folic acid analog... 59 98
Histamine H1 receptor Ligand Mizolastine Family 14 603
Prothrombin Inhibitor Dabigatran Family 7 182
Dipeptidyl peptidase 4 Inhibitor Linagliptin Family 10 81
Translocator protein Inhibitor Emapunil Family 7 89
Growth hormone receptor Ligand EP-51216 Family 34 390
Protein kinase C alpha type and Protein kinase C beta type Inh... 16 86
NS5A protein Inhibitor Bms 790052 Family 5 9
SB989 family 17 91
PHA848125 family 13 138
CC-486 family 7 103
JAK Inhibitor Momelotinib Family 33 83
Eluxadoline family 4 85
Vascular endothelial growth factor receptor 2 Ligand XL999 Family 11 87
Lethal factor Inhibitor GM6001 Family 50 435
Tryptase Inhibitor Babim Family 12 90
Somatostatin receptor type 2 Ligand L-054852 Family 13 88
Vascular endothelial growth factor receptor 2 Ligand 6-(1h-ben... 2 5
Integrin alpha-V and Integrin beta-3 Inhibitor SB-223245 Family 27 36
Renin Inhibitor Sul-pro-phe-n-mehis-lva-ile-amp Family 47 54
Arachidonate 5-lipoxygenase Inhibitor 2,4,5-triarylimidazole A... 3 16
Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-flu... 19 165
Telomerase reverse transcriptase Inhibitor HOE-33258 Family 10 33
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 19 103
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[n... 12 10
Melanocortin receptor Ligand Ac-his-dnal(2)-arg-trp-nh2 Family 112 67
Adenosine receptor A1 and Adenosine receptor A3 Ligand VUF-850... 28 47
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand Ac-... 38 60
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[c... 20 18
RAF proto-oncogene serine/threonine-protein kinase Inhibitor L... 219 124
Telomerase reverse transcriptase Inhibitor NSC-745794 Family 3 1
DNA (cytosine-5)-methyltransferase 3B Inhibitor NSC-57893 Family 3 8
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 24 79
Type-1 angiotensin II receptor Ligand [sar1,tdf3]angii Family 135 2
Type-2 angiotensin II receptor Ligand L-158282 Family 24 58
Proto-oncogene tyrosine-protein kinase Src Inhibitor 5,7-diphe... 2 11
Sodium channel protein type 1 subunit alpha and Sodium channel... 10 14
Vasopressin V1a receptor and Vasopressin V1b receptor Ligand D... 10 19
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 18 72
Melanocortin receptor Ligand Ac-his-dphe(3,4-dicl)-arg-trp-nh2... 10 14
Bombesin receptor subtype-3 and Gastrin-releasing peptide rece... 42 7
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 1 2
Prothrombin and Cationic trypsin inhibitor (2S)-N-[(2S)-1-(1H-... 4 15
Prothrombin inhibitor SureCN5854779 family 4 9
Prothrombin inhibitor SureCN5856722 family 3 16
Acetylcholinesterase inhibitor SureCN251059 family 2 16
Mu-type opioid receptor and Mu-type opioid receptor ligand Sur... 5 10
Bombesin receptor subtype-3 ligand SureCN3515839 family 1 0
Histone deacetylase 1 and Histone deacetylase 8 inhibitor (E)-... 3 0
Adenosine receptor A2a and Adenosine receptor A1 ligand AGN-PC... 7 0
Pol polyprotein inhibitor Hydroxyethylene deriv. 12 family 13 10
Integrin beta-3 and Integrin alpha-V inhibitor 2-[1-[2-[[4-(1H... 6 2
Sterol O-acyltransferase 1 inhibitor 1-(2,4-difluorophenyl)-3-... 8 90
Macrophage colony-stimulating factor 1 receptor ligand SureCN1... 28 9
Macrophage colony-stimulating factor 1 receptor and Cytochrome... 13 3
Histamine H4 receptor ligand SureCN602132 family 1 8
Serine/threonine-protein kinase D1 and Polycystin-2 inhibitor ... 3 7
Cannabinoid receptor 2 ligand AGN-PC-080WIY family 1 0
Caspase-1 inhibitor (3S)-3-[[(2S)-4-[2-(5-methylbenzimidazol-1... 5 27
Melanin-concentrating hormone receptor 1 and Potassium voltage... 8 27
Melanin-concentrating hormone receptor 1 ligand AGN-PC-088XRP ... 2 10
Cathepsin K and Potassium voltage-gated channel subfamily H me... 4 7
Gamma-aminobutyric acid receptor subunit pi and GABA theta sub... 7 10
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 3 5
Lysosomal Pro-X carboxypeptidase inhibitor 2-amino-N-[(2S)-1-[... 11 16
Lysosomal Pro-X carboxypeptidase inhibitor N-[(2S)-1-[(2S)-2-(... 1 0
Adenosine receptor A2a ligand AGN-PC-01LVXW family 2 25
Adenosine receptor A2a ligand SureCN14156209 family 3 2
Cyclin-A2 and Cyclin-dependent kinase 2 inhibitor AGN-PC-09M45... 8 1
Cell division cycle 7-related protein kinase inhibitor pyrrolo... 4 10
Vascular endothelial growth factor receptor 2 and Mitogen-acti... 2 2
Type-1A angiotensin II receptor and Type-1B angiotensin II rec... 2 9
Poly [ADP-ribose] polymerase 1 inhibitor SureCN6202744 family 4 2
C-C chemokine receptor type 5 ligand SureCN1573831 family 4 3
Peroxisome proliferator-activated receptor gamma ligand 1-[(4-... 7 29
Prelamin-A/C and Niemann-Pick C1 protein inhibitor CHEMBL13592... 1 16
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 3 3
5-hydroxytryptamine receptor 4 ligand 6-chloro-N-[[1-(2-methyl... 10 19
5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine recept... 4 2
Nociceptin receptor and Kappa-type opioid receptor ligand 1-[1... 4 4
Cellular tumor antigen p53 and Microtubule-associated protein ... 1 1
Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-... 2 2
Gonadotropin-releasing hormone receptor ligand 1-(7-azabicyclo... 4 4
Coagulation factor X and Trypsin-1 inhibitor 1-(3-carbamimidoy... 4 1
Melanocortin receptor 4 ligand AGN-PC-076AML family 3 24
cGMP-dependent 3',5'-cyclic phosphodiesterase and cAMP and cAM... 8 13
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 6 3
Prothrombin and Trypsin-1 inhibitor 2-[6-methyl-2-oxo-3-(2-pyr... 4 2
C-C chemokine receptor type 5 and Potassium voltage-gated chan... 21 32
Gonadotropin-releasing hormone receptor ligand 1-(3-azabicyclo... 9 10
Bile acid receptor and Potassium voltage-gated channel subfami... 2 1
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand AGN-P... 2 18
Gamma-aminobutyric acid receptor subunit pi and GABA theta sub... 4 14
Thymidylate synthase inhibitor AGN-PC-0757PM family 1 0
Coagulation factor X and Cationic trypsin inhibitor AGN-PC-075... 5 13
Melanin-concentrating hormone receptor 1 ligand SureCN3334191 ... 4 7
Tyrosine-protein kinase ITK/TSK and Receptor-type tyrosine-pro... 1 0
C-C chemokine receptor type 5 ligand methyl N-cyano-4-[2-[(1R,... 8 8
C-C chemokine receptor type 5 ligand [4-[2-[3-(2-ethylbenzimid... 5 12
Glycogen synthase kinase-3 alpha and Glycogen synthase kinase-... 15 7
Cannabinoid receptor 1 ligand SureCN675796 family 5 1
Mitogen-activated protein kinase 14 inhibitor N-ethyl-5-methyl... 17 3
Smoothened homolog and Sonic hedgehog protein inhibitor N-cycl... 3 2
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 10 14
Histamine H3 receptor and Potassium voltage-gated channel subf... 7 1
Histamine H3 receptor ligand SureCN2878688 family 8 1
Coagulation factor X and Coagulation factor IX inhibitor 5-ami... 9 4
Histamine H1 receptor and Histamine H4 receptor ligand [4-[2-[... 1 1
C-C chemokine receptor type 5 ligand SureCN13543564 family 10 3
Serine/threonine-protein kinase Chk2 inhibitor SureCN3922132 f... 3 2
cGMP-dependent 3',5'-cyclic phosphodiesterase and cAMP and cAM... 3 10
Tyrosine-protein kinase JAK1 inhibitor CHEMBL2206623 family 10 11
Coagulation factor X inhibitor SureCN8289965 family 4 5
Ribosomal protein S6 kinase alpha-3 inhibitor N-(3-ethylimidaz... 2 2
Delta-type opioid receptor ligand ethyl N-[3-[(R)-[4-[ethyl(me... 2 6
Type-1 angiotensin II receptor and Type-2 angiotensin II recep... 4 29
Serine/threonine-protein kinase mTOR inhibitor 5-(2-amino-3H-b... 3 1
Gastrin/cholecystokinin type B receptor ligand 3-[[5-[2-(1-ada... 9 15
Casein kinase II subunit alpha and Serine/threonine-protein ki... 1 5
Neuronal acetylcholine receptor subunit beta-2 and Neuronal ac... 10 6
Aurora kinase B and Aurora kinase A inhibitor 4-amino-N-[3-[[(... 5 3
Prothrombin and Cationic trypsin inhibitor (2S)-1-[(2R)-3,3-di... 5 9
Protein kinase C theta type and Leucine-rich repeat serine/thr... 1 1
Histamine H3 receptor ligand 1-[4-(1H-imidazol-5-ylmethyl)pipe... 1 2
Vascular endothelial growth factor receptor 2 ligand (3Z)-3-[5... 4 11
Vascular endothelial growth factor receptor 2 ligand (3Z)-6-fl... 4 3
Platelet-derived growth factor receptor beta and Vascular endo... 5 12
Glycogen synthase kinase-3 beta inhibitor 2-(4-fluorophenyl)-N... 4 2
Dipeptidyl peptidase 4 inhibitor [(2S,4S)-4-[4-(1H-benzimidazo... 3 5
Translocator protein inhibitor N-butan-2-yl-4-(2-chlorophenyl)... 14 12
Type-1 angiotensin II receptor ligand 7-methyl-N-(2-phenylethy... 2 10
Cyclin-dependent kinase 2 and Serine/threonine-protein kinase ... 2 2
Somatostatin receptor type 3 ligand tert-butyl 4-[(3R)-3-(5-ph... 2 2
Platelet-derived growth factor receptor alpha and Vascular end... 3 1
Growth hormone secretagogue receptor type 1 ligand SureCN36660... 4 14
Tyrosine-protein kinase JAK1 and Tyrosine-protein kinase JAK2 ... 3 2
Dipeptidyl peptidase 4 inhibitor [(2S,4S)-4-[4-(1-phenylimidaz... 2 1
Calcitonin gene-related peptide type 1 receptor ligand SureCN1... 1 4
Smoothened homolog inhibitor N-[4-methyl-3-(5-phenyl-1H-imidaz... 1 0
Type-1 angiotensin II receptor and Type-1A angiotensin II rece... 3 0
Cdc2-related kinase inhibitor N-[6-(3,5-dimethylphenyl)-1-meth... 1 0
ALK tyrosine kinase receptor ligand N-[6-[[4-(2-hydroxypropan-... 2 0
Serine/threonine-protein kinase Chk1 inhibitor SureCN5547496 f... 2 1
C-C chemokine receptor type 5 and Potassium voltage-gated chan... 2 1
Urokinase plasminogen activator surface receptor ligand ethyl ... 1 0
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 2 0
cGMP-dependent 3',5'-cyclic phosphodiesterase and cAMP and cAM... 3 0
Melanocortin receptor 4 ligand AGN-PC-076AMO family 17 8
CGMP-dependent protein kinase inhibitor SureCN14561191 family 4 0
Melanocortin receptor 4 ligand AGN-PC-076AMT family 2 9
Orexin receptor type 2 and Orexin receptor type 1 ligand (2R)-... 12 16
Dipeptidyl peptidase 4 and Cytochrome P450 2D6 inhibitor (3R)-... 4 12
5-hydroxytryptamine receptor 4 and 5-hydroxytryptamine recepto... 10 1
Integrin beta-1 and Integrin alpha-4 inhibitor (5R)-5-[[(2R)-2... 2 3
Orexin receptor type 2 and Orexin receptor type 1 ligand 9-(4,... 2 8
Orexin receptor type 2 and Orexin receptor type 1 ligand SureC... 2 0
Eukaryotic translation initiation factor 2-alpha kinase 3 and ... 4 0
Histone deacetylase 1 inhibitor 1-methyl-N-[(1S)-7-oxo-1-(5-qu... 2 3
Histone deacetylase 1 inhibitor 1-methyl-N-[(1S)-7-oxo-1-(5-qu... 2 1
Fatty acid-binding protein, adipocyte inhibitor AGN-PC-02W5KO ... 2 1
Phospholipase D1 and Phospholipase D2 inhibitor SureCN10311349... 2 14
Somatostatin receptor type 1 and Somatostatin receptor type 2 ... 3 0
Disintegrin and metalloproteinase domain-containing protein 17... 3 0
Disintegrin and metalloproteinase domain-containing protein 17... 10 4
Orexin receptor type 2 and Orexin receptor type 1 ligand (2S)-... 5 0
Metabotropic glutamate receptor 2 ligand 8-(2,5-difluorophenyl... 6 2
Orexin receptor type 2 and Orexin receptor type 1 ligand (2S)-... 2 2
Proteinase-activated receptor 1 and Prothrombin ligand (2S)-N-... 3 23
Prothrombin inhibitor 2-[4-methyl-5-[[[2-[6-methyl-2-oxo-3-(2-... 1 0
Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ... 3 0
Gamma-aminobutyric acid receptor subunit pi and GABA theta sub... 11 5
Matrilysin and Stromelysin-1 inhibitor (2R)-N-[(1S)-1-(1H-benz... 3 0
Carbonic anhydrase 2 and Carbonic anhydrase 4 inhibitor (2S)-2... 2 4
Integrin beta-3 and Integrin alpha-V inhibitor 2-[(2S)-4-methy... 2 0
Dihydrofolate reductase and Bifunctional dihydrofolate reducta... 3 2
Substance-K receptor ligand SureCN9035669 family 10 5
Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 2 0
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 1 3
Coagulation factor X and Coagulation factor IX inhibitor 5-ami... 1 1
Putative Bioactive N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyr... 2 0
C-C chemokine receptor type 5 ligand 1-[4-(3-chlorophenyl)-4-[... 3 1
Gonadotropin-releasing hormone receptor ligand SureCN3275214 f... 5 0
Cyclin-dependent kinase 2 and Potassium voltage-gated channel ... 12 7
Tyrosine-protein kinase ITK/TSK inhibitor AGN-PC-077RDJ family 15 1
Glucagon receptor ligand SureCN2666184 family 7 2
Gonadotropin-releasing hormone receptor ligand 4-[[4-[2-(4-ter... 3 3
Tyrosine-protein kinase ITK/TSK and Insulin receptor ligand AG... 5 1
Melanin-concentrating hormone receptor 1 ligand SureCN3832854 ... 3 2
B1 bradykinin receptor ligand AGN-PC-077LWO family 2 0
Platelet-derived growth factor receptor beta and Fibroblast gr... 10 0
Melanin-concentrating hormone receptor 1 ligand SureCN3834858 ... 2 1
Dipeptidyl peptidase 4 inhibitor SureCN5776796 family 1 0
Egl nine homolog 1 inhibitor 2-[(1,6-diphenylimidazo[4,5-c]pyr... 1 5
Platelet-derived growth factor receptor beta and Fibroblast gr... 2 1
Tyrosine-protein kinase Lck inhibitor (3S)-3-[(1S)-1-[[4-(benz... 14 0
Poly [ADP-ribose] polymerase 1 inhibitor 2-[4-(5-sulfanylidene... 1 1
Poly [ADP-ribose] polymerase 1 and Poly [ADP-ribose] polymeras... 4 0
Sonic hedgehog protein and Cytochrome P450 2C9 inhibitor AGN-P... 1 0
Peroxisome proliferator-activated receptor gamma ligand AGN-PC... 4 4
Neuropeptide Y receptor type 5 ligand SureCN8149543 family 1 0
Lysosomal Pro-X carboxypeptidase inhibitor 9H-fluoren-9-ylmeth... 1 1
Vascular endothelial growth factor receptor 2 and Vascular end... 1 1
Tyrosine-protein kinase ITK/TSK inhibitor SureCN6632543 family 1 2
Glucagon receptor ligand SureCN3913003 family 1 0
Reverse transcriptase/RNaseH inhibitor AC1LAPCJ family 1 0
Beta-secretase 1 inhibitor SureCN8284926 family 2 0
Prelamin-A/C and Lysine-specific demethylase 4E inhibitor CHEM... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00166135 CHEMBL48914 Bioactive 2-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetic acid
CFAMM00166213 CHEMBL49445 Bioactive SureCN505899
CFAMM00166127 CHEMBL48635 Bioactive SureCN505887
CFAMM00166179 DNCL001762 Clinical Trial Drug BIBT986

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

27512 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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