Found 24 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336325
(CHEMBL1667943 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nccs1 |r,wU:27.31,wD:30.38,(5.48,2.11,;5.49,.57,;4.16,-.2,;4.16,-1.75,;5.49,-2.52,;6.83,-1.74,;8.3,-2.21,;9.2,-.95,;8.29,.29,;9.06,1.62,;8.29,2.94,;9.05,4.28,;10.6,4.28,;11.36,5.6,;12.89,5.61,;13.67,4.27,;12.9,2.95,;11.37,2.95,;10.6,1.61,;11.37,.28,;15.2,4.27,;15.97,2.94,;17.51,2.94,;18.28,4.27,;17.5,5.61,;15.96,5.6,;6.82,-.2,;8.79,-3.67,;10.29,-3.97,;10.77,-5.44,;9.74,-6.59,;8.24,-6.27,;7.76,-4.81,;10.22,-8.05,;9.44,-9.37,;11.76,-8.07,;12.52,-9.41,;12.05,-10.87,;13.3,-11.77,;14.54,-10.87,;14.07,-9.4,)| Show InChI InChI=1S/C31H26FN7OS/c32-24-22(12-10-19-11-13-23(36-25(19)24)18-4-2-1-3-5-18)26-27-28(33)34-14-16-39(27)29(37-26)20-6-8-21(9-7-20)30(40)38-31-35-15-17-41-31/h1-5,10-17,20-21H,6-9H2,(H2,33,34)(H,35,38,40)/t20-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336329
(CHEMBL1667947 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1ccccc1NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:13.17,wD:10.10,(28.81,-26.74,;28.05,-25.39,;28.84,-24.07,;28.08,-22.73,;26.54,-22.71,;25.76,-24.04,;26.52,-25.37,;25.73,-26.69,;24.19,-26.68,;23.41,-28,;23.71,-25.21,;24.74,-24.06,;24.26,-22.6,;22.75,-22.3,;21.73,-23.44,;22.21,-24.89,;22.27,-20.83,;23.17,-19.58,;22.26,-18.34,;23.03,-17.01,;22.26,-15.69,;23.02,-14.35,;24.57,-14.35,;25.33,-13.03,;26.86,-13.02,;27.63,-14.35,;26.87,-15.68,;25.33,-15.68,;24.57,-17.02,;25.34,-18.35,;29.17,-14.35,;29.94,-15.69,;31.48,-15.69,;32.25,-14.36,;31.47,-13.02,;29.93,-13.02,;20.79,-18.82,;19.46,-18.06,;19.45,-16.52,;18.13,-18.83,;18.13,-20.37,;19.46,-21.15,;20.8,-20.37,)| Show InChI InChI=1S/C34H30FN7O/c35-28-24(16-14-21-15-17-26(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-42(31)33(41-30)22-10-12-23(13-11-22)34(43)40-27-9-5-4-8-25(27)36/h1-9,14-19,22-23H,10-13,36H2,(H2,37,38)(H,40,43)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336327
(CHEMBL1667945 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccccn1 |r,wU:27.31,wD:30.38,(-8.63,-16.09,;-8.62,-17.63,;-9.95,-18.4,;-9.95,-19.94,;-8.62,-20.71,;-7.28,-19.93,;-5.81,-20.4,;-4.91,-19.15,;-5.82,-17.91,;-5.05,-16.58,;-5.82,-15.25,;-5.06,-13.92,;-3.51,-13.92,;-2.75,-12.59,;-1.22,-12.59,;-.44,-13.92,;-1.21,-15.25,;-2.74,-15.25,;-3.51,-16.58,;-2.74,-17.92,;1.09,-13.92,;1.86,-15.26,;3.4,-15.26,;4.17,-13.92,;3.39,-12.58,;1.85,-12.59,;-7.29,-18.39,;-5.32,-21.86,;-3.82,-22.16,;-3.34,-23.63,;-4.37,-24.78,;-5.87,-24.46,;-6.35,-23.01,;-3.89,-26.25,;-4.67,-27.57,;-2.35,-26.26,;-1.56,-24.94,;-.02,-24.96,;.76,-23.64,;.01,-22.29,;-1.54,-22.28,;-2.32,-23.61,)| Show InChI InChI=1S/C33H28FN7O/c34-27-24(15-13-21-14-16-25(38-28(21)27)20-6-2-1-3-7-20)29-30-31(35)37-18-19-41(30)32(40-29)22-9-11-23(12-10-22)33(42)39-26-8-4-5-17-36-26/h1-8,13-19,22-23H,9-12H2,(H2,35,37)(H,36,39,42)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336321
(CHEMBL1667939 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:7.10,wD:4.3,(12.87,-39.64,;12.08,-40.96,;10.54,-40.95,;9.76,-42.27,;10.06,-39.48,;11.09,-38.33,;10.61,-36.86,;9.11,-36.56,;8.08,-37.71,;8.56,-39.16,;8.62,-35.1,;9.52,-33.85,;8.61,-32.61,;9.38,-31.28,;8.61,-29.95,;9.37,-28.62,;10.92,-28.62,;11.68,-27.29,;13.21,-27.29,;13.99,-28.62,;13.22,-29.95,;11.69,-29.95,;10.92,-31.28,;11.69,-32.62,;15.52,-28.62,;16.29,-29.96,;17.83,-29.96,;18.6,-28.62,;17.82,-27.29,;16.28,-27.29,;7.14,-33.09,;5.81,-32.33,;5.8,-30.79,;4.48,-33.1,;4.48,-34.64,;5.81,-35.41,;7.15,-34.63,)| Show InChI InChI=1S/C29H27FN6O/c1-32-29(37)20-9-7-19(8-10-20)28-35-25(26-27(31)33-15-16-36(26)28)21-13-11-18-12-14-22(34-24(18)23(21)30)17-5-3-2-4-6-17/h2-6,11-16,19-20H,7-10H2,1H3,(H2,31,33)(H,32,37)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336323
(CHEMBL1667941 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nncs1 |r,wU:27.31,wD:30.38,(36.37,-27.21,;36.37,-28.75,;35.04,-29.52,;35.04,-31.06,;36.38,-31.83,;37.72,-31.05,;39.19,-31.52,;40.09,-30.27,;39.17,-29.02,;39.94,-27.7,;39.17,-26.37,;39.94,-25.04,;41.49,-25.04,;42.25,-23.71,;43.78,-23.71,;44.55,-25.04,;43.78,-26.37,;42.25,-26.37,;41.48,-27.7,;42.25,-29.04,;46.09,-25.04,;46.85,-26.38,;48.39,-26.38,;49.16,-25.04,;48.39,-23.7,;46.85,-23.71,;37.71,-29.51,;39.67,-32.98,;41.18,-33.28,;41.66,-34.75,;40.63,-35.9,;39.12,-35.58,;38.64,-34.12,;41.11,-37.36,;40.32,-38.69,;42.65,-37.38,;43.4,-38.72,;44.94,-38.9,;45.24,-40.41,;43.9,-41.16,;42.77,-40.12,)| Show InChI InChI=1S/C30H25FN8OS/c31-23-21(12-10-18-11-13-22(35-24(18)23)17-4-2-1-3-5-17)25-26-27(32)33-14-15-39(26)28(36-25)19-6-8-20(9-7-19)29(40)37-30-38-34-16-41-30/h1-5,10-16,19-20H,6-9H2,(H2,32,33)(H,37,38,40)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336324
(CHEMBL1667942 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccn[nH]1 |r,wU:27.31,wD:30.38,(-8.21,2.51,;-8.21,.97,;-9.54,.19,;-9.54,-1.35,;-8.21,-2.12,;-6.87,-1.34,;-5.4,-1.81,;-4.5,-.56,;-5.41,.69,;-4.64,2.01,;-5.41,3.34,;-4.64,4.67,;-3.1,4.68,;-2.33,6,;-.8,6,;-.03,4.67,;-.8,3.34,;-2.33,3.34,;-3.1,2.01,;-2.33,.67,;1.5,4.67,;2.27,3.33,;3.81,3.33,;4.58,4.67,;3.8,6.01,;2.27,6,;-6.87,.2,;-4.91,-3.27,;-3.4,-3.57,;-2.93,-5.04,;-3.95,-6.19,;-5.46,-5.87,;-5.94,-4.41,;-3.47,-7.65,;-4.26,-8.98,;-1.93,-7.67,;-1.18,-9.01,;.37,-9.01,;.85,-10.47,;-.4,-11.38,;-1.65,-10.47,)| Show InChI InChI=1S/C31H27FN8O/c32-25-22(12-10-19-11-13-23(36-26(19)25)18-4-2-1-3-5-18)27-28-29(33)34-16-17-40(28)30(38-27)20-6-8-21(9-7-20)31(41)37-24-14-15-35-39-24/h1-5,10-17,20-21H,6-9H2,(H2,33,34)(H2,35,37,39,41)/t20-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336322
(CHEMBL1667940 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:6.9,wD:3.2,(26.07,-41.48,;24.53,-41.46,;23.74,-42.79,;24.05,-40,;25.07,-38.85,;24.6,-37.38,;23.09,-37.08,;22.06,-38.22,;22.54,-39.68,;22.6,-35.62,;23.5,-34.37,;22.59,-33.12,;23.36,-31.8,;22.59,-30.47,;23.36,-29.14,;24.9,-29.13,;25.67,-27.81,;27.2,-27.81,;27.97,-29.14,;27.2,-30.47,;25.67,-30.47,;24.9,-31.8,;25.67,-33.14,;29.5,-29.14,;30.27,-30.48,;31.81,-30.48,;32.58,-29.14,;31.8,-27.8,;30.27,-27.81,;21.13,-33.61,;19.79,-32.84,;19.79,-31.3,;18.46,-33.62,;18.46,-35.16,;19.79,-35.93,;21.13,-35.15,)| Show InChI InChI=1S/C28H25FN6O/c29-22-20(12-10-17-11-13-21(33-23(17)22)16-4-2-1-3-5-16)24-25-26(30)32-14-15-35(25)28(34-24)19-8-6-18(7-9-19)27(31)36/h1-5,10-15,18-19H,6-9H2,(H2,30,32)(H2,31,36)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336315
(CHEMBL1667948 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)| Show InChI InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336318
(CHEMBL1667936 | trans-2-(3-(-4-ethylcyclohexyl)-7-...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@H](CO)CC1 |r,wU:27.31,wD:30.35,(3.1,-15.73,;3.11,-17.27,;1.78,-18.04,;1.78,-19.59,;3.11,-20.36,;4.45,-19.58,;5.92,-20.05,;6.82,-18.8,;5.91,-17.55,;6.68,-16.23,;5.91,-14.9,;6.67,-13.57,;8.22,-13.56,;8.98,-12.24,;10.51,-12.24,;11.29,-13.57,;10.52,-14.9,;8.99,-14.89,;8.22,-16.23,;8.99,-17.57,;12.82,-13.57,;13.59,-14.91,;15.13,-14.91,;15.9,-13.57,;15.12,-12.23,;13.58,-12.24,;4.44,-18.04,;6.41,-21.51,;7.91,-21.81,;8.39,-23.28,;7.36,-24.43,;7.84,-25.89,;9.35,-26.21,;5.86,-24.11,;5.38,-22.65,)| Show InChI InChI=1S/C28H26FN5O/c29-23-21(12-10-19-11-13-22(32-24(19)23)18-4-2-1-3-5-18)25-26-27(30)31-14-15-34(26)28(33-25)20-8-6-17(16-35)7-9-20/h1-5,10-15,17,20,35H,6-9,16H2,(H2,30,31)/t17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336328
(CHEMBL1667946 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncn1 |r,wU:27.31,wD:30.38,(5.26,-16.47,;5.26,-18.01,;3.93,-18.78,;3.93,-20.33,;5.27,-21.1,;6.61,-20.32,;8.08,-20.79,;8.98,-19.53,;8.06,-18.29,;8.83,-16.97,;8.07,-15.64,;8.83,-14.3,;10.38,-14.3,;11.14,-12.98,;12.67,-12.97,;13.45,-14.31,;12.68,-15.63,;11.14,-15.63,;10.38,-16.97,;11.15,-18.3,;14.98,-14.31,;15.75,-15.64,;17.29,-15.64,;18.06,-14.31,;17.28,-12.97,;15.74,-12.98,;6.6,-18.78,;8.56,-22.25,;10.07,-22.55,;10.55,-24.02,;9.52,-25.17,;8.01,-24.85,;7.54,-23.39,;10,-26.63,;9.22,-27.96,;11.54,-26.65,;12.33,-25.32,;13.87,-25.35,;14.65,-24.03,;13.89,-22.68,;12.35,-22.67,;11.57,-23.99,)| Show InChI InChI=1S/C32H27FN8O/c33-26-23(12-10-20-11-13-24(38-27(20)26)19-4-2-1-3-5-19)28-29-30(34)36-16-17-41(29)31(40-28)21-6-8-22(9-7-21)32(42)39-25-14-15-35-18-37-25/h1-5,10-18,21-22H,6-9H2,(H2,34,36)(H,35,37,39,42)/t21-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336331
(CHEMBL1667950 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Cn1c(NC(=O)[C@H]2CC[C@@H](CC2)c2nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c3c(N)nccn23)nc2ccccc12 |r,wU:9.12,wD:6.5,(31.09,-42.68,;30.06,-41.52,;28.53,-41.68,;27.74,-43,;26.2,-42.98,;25.41,-44.31,;25.72,-41.52,;26.75,-40.37,;26.27,-38.9,;24.76,-38.6,;23.73,-39.74,;24.21,-41.2,;24.27,-37.14,;25.17,-35.88,;24.26,-34.64,;25.03,-33.31,;24.26,-31.98,;25.03,-30.65,;26.58,-30.65,;27.34,-29.32,;28.87,-29.32,;29.64,-30.65,;28.87,-31.98,;27.34,-31.98,;26.57,-33.32,;27.34,-34.65,;31.18,-30.65,;31.95,-31.99,;33.49,-31.99,;34.26,-30.65,;33.48,-29.31,;31.94,-29.32,;22.79,-35.12,;21.46,-34.36,;21.45,-32.82,;20.13,-35.13,;20.13,-36.68,;21.46,-37.45,;22.8,-36.67,;27.92,-40.25,;29.08,-39.24,;29.09,-37.71,;30.42,-36.95,;31.75,-37.73,;31.73,-39.27,;30.4,-40.02,)| Show InChI InChI=1S/C36H31FN8O/c1-44-28-10-6-5-9-27(28)41-36(44)43-35(46)24-13-11-23(12-14-24)34-42-31(32-33(38)39-19-20-45(32)34)25-17-15-22-16-18-26(40-30(22)29(25)37)21-7-3-2-4-8-21/h2-10,15-20,23-24H,11-14H2,1H3,(H2,38,39)(H,41,43,46)/t23-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336317
(CHEMBL1667935 | cis-3-[4-Amino-5-(8-fluoro-2-pheny...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(-2.6,-22.44,;-3.93,-21.67,;-4.34,-23.15,;-3.24,-20.29,;-4.61,-19.61,;-5.31,-20.98,;-5.1,-18.14,;-4.2,-16.89,;-5.11,-15.65,;-4.34,-14.32,;-5.11,-12.99,;-4.34,-11.66,;-2.79,-11.65,;-2.03,-10.33,;-.5,-10.33,;.27,-11.66,;-.5,-12.99,;-2.03,-12.99,;-2.8,-14.32,;-2.03,-15.66,;1.81,-11.66,;2.58,-13,;4.12,-13,;4.89,-11.66,;4.11,-10.32,;2.57,-10.33,;-6.58,-16.13,;-7.91,-15.37,;-7.92,-13.83,;-9.24,-16.14,;-9.25,-17.68,;-7.91,-18.46,;-6.57,-17.68,)| Show InChI InChI=1S/C25H21FN6O/c1-25(33)11-16(12-25)24-31-21(22-23(27)28-13-29-32(22)24)17-9-7-15-8-10-18(30-20(15)19(17)26)14-5-3-2-4-6-14/h2-10,13,16,33H,11-12H2,1H3,(H2,27,28,29)/t16-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50219382
(3-((1s,3s)-3-(4-methylpiperazin-1-yl)cyclobutyl)-1...)Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:7.7,9.12,(13.72,-11.86,;13.25,-10.4,;11.74,-10.07,;11.27,-8.61,;12.31,-7.47,;13.81,-7.78,;14.28,-9.25,;11.83,-6.01,;10.46,-5.31,;11.15,-3.94,;12.53,-4.64,;10.68,-2.48,;11.59,-1.22,;10.67,.03,;11.15,1.5,;10.12,2.63,;10.58,4.09,;12.09,4.42,;12.57,5.88,;14.08,6.21,;15.12,5.05,;14.63,3.58,;13.12,3.27,;12.65,1.81,;16.62,5.37,;17.65,4.22,;19.15,4.54,;19.63,6.01,;18.59,7.15,;17.09,6.83,;9.2,-.45,;7.86,.32,;7.85,1.86,;6.53,-.45,;6.53,-2,;7.86,-2.77,;9.2,-2,)| Show InChI InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336316
(CHEMBL410659 | cis-3-(3-(azetidin-1-ylmethyl)cyclo...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)| Show InChI InChI=1S/C29H28N6/c30-28-27-26(22-8-7-21-9-10-24(32-25(21)17-22)20-5-2-1-3-6-20)33-29(35(27)14-11-31-28)23-15-19(16-23)18-34-12-4-13-34/h1-3,5-11,14,17,19,23H,4,12-13,15-16,18H2,(H2,30,31)/t19-,23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336326
(CHEMBL1667944 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nnc[nH]1 |r,wU:27.31,wD:30.38,(18.99,2.16,;19,.62,;17.67,-.15,;17.67,-1.69,;19,-2.46,;20.34,-1.68,;21.81,-2.15,;22.71,-.9,;21.8,.34,;22.57,1.67,;21.8,3,;22.56,4.33,;24.11,4.33,;24.87,5.66,;26.4,5.66,;27.18,4.33,;26.41,3,;24.88,3,;24.11,1.67,;24.88,.33,;28.71,4.33,;29.48,2.99,;31.02,2.99,;31.79,4.33,;31.01,5.66,;29.47,5.66,;20.33,-.14,;22.3,-3.61,;23.8,-3.91,;24.28,-5.38,;23.25,-6.53,;21.75,-6.21,;21.27,-4.76,;23.73,-7.99,;22.95,-9.32,;25.27,-8.01,;26.03,-9.35,;25.56,-10.81,;26.81,-11.72,;28.05,-10.81,;27.58,-9.35,)| Show InChI InChI=1S/C30H26FN9O/c31-23-21(12-10-18-11-13-22(36-24(18)23)17-4-2-1-3-5-17)25-26-27(32)33-14-15-40(26)28(37-25)19-6-8-20(9-7-19)29(41)38-30-34-16-35-39-30/h1-5,10-16,19-20H,6-9H2,(H2,32,33)(H2,34,35,38,39,41)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336330
(CHEMBL1667949 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc2[nH]ccc2c1 |r,wU:27.31,wD:30.38,(5.89,-32.49,;5.89,-34.03,;4.56,-34.8,;4.56,-36.35,;5.89,-37.12,;7.24,-36.34,;8.71,-36.81,;9.61,-35.56,;8.69,-34.31,;9.46,-32.98,;8.69,-31.66,;9.46,-30.32,;11.01,-30.32,;11.77,-28.99,;13.3,-28.99,;14.08,-30.32,;13.31,-31.65,;11.77,-31.65,;11.01,-32.99,;11.78,-34.32,;15.61,-30.32,;16.38,-31.66,;17.92,-31.66,;18.7,-30.32,;17.92,-28.99,;16.38,-28.99,;7.23,-34.8,;9.19,-38.27,;10.7,-38.57,;11.18,-40.04,;10.15,-41.19,;8.64,-40.87,;8.16,-39.42,;10.63,-42.66,;9.85,-43.99,;12.17,-42.68,;12.96,-41.35,;12.2,-40.02,;12.98,-38.69,;14.53,-38.7,;15.56,-37.57,;16.96,-38.21,;16.79,-39.73,;15.29,-40.04,;14.5,-41.38,)| Show InChI InChI=1S/C36H30FN7O/c37-30-27(13-10-22-11-14-29(42-31(22)30)21-4-2-1-3-5-21)32-33-34(38)40-18-19-44(33)35(43-32)23-6-8-24(9-7-23)36(45)41-26-12-15-28-25(20-26)16-17-39-28/h1-5,10-20,23-24,39H,6-9H2,(H2,38,40)(H,41,45)/t23-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315887
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)| Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336320
(CHEMBL1667938 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES CN(C)C(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:8.11,wD:5.4,(-1.35,-36.9,;-2.14,-38.22,;-1.38,-39.56,;-3.67,-38.2,;-4.46,-39.53,;-4.16,-36.74,;-3.13,-35.59,;-3.61,-34.12,;-5.11,-33.82,;-6.14,-34.96,;-5.66,-36.42,;-5.6,-32.36,;-4.7,-31.11,;-5.61,-29.86,;-4.84,-28.54,;-5.61,-27.21,;-4.85,-25.88,;-3.3,-25.88,;-2.54,-24.55,;-1.01,-24.55,;-.23,-25.88,;-1,-27.21,;-2.53,-27.21,;-3.3,-28.54,;-2.53,-29.88,;1.3,-25.88,;2.07,-27.22,;3.61,-27.22,;4.38,-25.88,;3.6,-24.54,;2.06,-24.55,;-7.08,-30.35,;-8.41,-29.59,;-8.42,-28.05,;-9.74,-30.36,;-9.74,-31.9,;-8.41,-32.67,;-7.07,-31.89,)| Show InChI InChI=1S/C30H29FN6O/c1-36(2)30(38)21-10-8-20(9-11-21)29-35-26(27-28(32)33-16-17-37(27)29)22-14-12-19-13-15-23(34-25(19)24(22)31)18-6-4-3-5-7-18/h3-7,12-17,20-21H,8-11H2,1-2H3,(H2,32,33)/t20-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50336319
(CHEMBL1667937 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:27.31,wD:30.38,(18.25,-15.15,;18.26,-16.69,;16.93,-17.46,;16.93,-19.01,;18.26,-19.78,;19.6,-19,;21.07,-19.47,;21.97,-18.21,;21.06,-16.97,;21.83,-15.64,;21.06,-14.32,;21.82,-12.98,;23.37,-12.98,;24.13,-11.66,;25.66,-11.65,;26.44,-12.99,;25.67,-14.31,;24.14,-14.31,;23.37,-15.65,;24.14,-16.98,;27.97,-12.99,;28.74,-14.32,;30.28,-14.32,;31.05,-12.99,;30.27,-11.65,;28.73,-11.66,;19.59,-17.45,;21.56,-20.93,;23.06,-21.23,;23.54,-22.7,;22.51,-23.84,;21.01,-23.53,;20.53,-22.07,;22.99,-25.31,;24.5,-25.63,;21.97,-26.45,)| Show InChI InChI=1S/C28H24FN5O2/c29-22-20(12-10-17-11-13-21(32-23(17)22)16-4-2-1-3-5-16)24-25-26(30)31-14-15-34(25)27(33-24)18-6-8-19(9-7-18)28(35)36/h1-5,10-15,18-19H,6-9H2,(H2,30,31)(H,35,36)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50336315
(CHEMBL1667948 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)| Show InChI InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336315
(CHEMBL1667948 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)| Show InChI InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50336315
(CHEMBL1667948 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)| Show InChI InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)/t22-,23- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50336315
(CHEMBL1667948 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)| Show InChI InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50336315
(CHEMBL1667948 | trans-4-(8-amino-1-(8-fluoro-2-phe...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)| Show InChI InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 21: 1176-80 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ |
More data for this
Ligand-Target Pair | |
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