Found 19 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)) | BDBM50339062
(4-(3-(4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)im...)Show SMILES Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O |r,wU:27.31,29.36,(5.56,-13.24,;5.57,-14.78,;4.24,-15.55,;4.24,-17.09,;5.57,-17.86,;6.9,-17.08,;8.37,-17.56,;9.28,-16.31,;8.37,-15.06,;9.12,-13.72,;8.34,-12.4,;9.1,-11.06,;10.64,-11.05,;11.4,-9.71,;12.94,-9.7,;13.72,-11.04,;12.95,-12.37,;11.41,-12.38,;10.67,-13.71,;11.45,-15.04,;15.25,-11.03,;16.03,-12.36,;17.57,-12.35,;18.33,-11.01,;17.55,-9.68,;16.01,-9.69,;6.9,-15.54,;8.84,-19.01,;8.14,-20.39,;9.52,-21.09,;10.21,-19.71,;10,-22.55,;8.96,-23.7,;9.43,-25.15,;10.94,-25.48,;11.97,-24.34,;11.5,-22.87,;11.41,-26.95,;10.37,-28.09,)| Show InChI InChI=1S/C29H27FN8O/c30-24-22(8-6-19-7-9-23(34-25(19)24)18-4-2-1-3-5-18)26-27-28(31)32-16-33-38(27)29(35-26)20-14-21(15-20)37-12-10-36(17-39)11-13-37/h1-9,16-17,20-21H,10-15H2,(H2,31,32,33)/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339064
(5-(8-fluoro-2-phenylquinolin-7-yl)-7-(3-(4-methylp...)Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(40.85,-28.31,;40.38,-26.84,;38.87,-26.51,;38.4,-25.05,;39.44,-23.91,;40.94,-24.23,;41.41,-25.7,;38.96,-22.44,;37.58,-21.74,;38.28,-20.37,;39.66,-21.07,;37.81,-18.92,;38.72,-17.67,;37.81,-16.42,;38.56,-15.08,;37.78,-13.76,;38.54,-12.42,;40.08,-12.4,;40.84,-11.07,;42.38,-11.06,;43.16,-12.39,;42.39,-13.73,;40.85,-13.74,;40.11,-15.07,;40.89,-16.39,;44.69,-12.38,;45.47,-13.72,;47.01,-13.71,;47.77,-12.37,;46.99,-11.04,;45.45,-11.05,;36.34,-16.9,;35.01,-16.13,;35,-14.59,;33.68,-16.9,;33.68,-18.45,;35.01,-19.22,;36.34,-18.44,)| Show InChI InChI=1S/C29H29FN8/c1-36-11-13-37(14-12-36)21-15-20(16-21)29-35-26(27-28(31)32-17-33-38(27)29)22-9-7-19-8-10-23(34-25(19)24(22)30)18-5-3-2-4-6-18/h2-10,17,20-21H,11-16H2,1H3,(H2,31,32,33)/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339063
(7-(3-(4-methylpiperazin-1-yl)cyclobutyl)-5-(2-phen...)Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(25.86,-27.54,;25.39,-26.08,;23.89,-25.75,;23.42,-24.29,;24.45,-23.15,;25.96,-23.46,;26.43,-24.93,;23.97,-21.68,;22.6,-20.98,;23.3,-19.61,;24.67,-20.31,;22.82,-18.15,;23.73,-16.9,;22.82,-15.66,;23.58,-14.32,;22.79,-13,;23.55,-11.66,;25.09,-11.64,;25.85,-10.31,;27.39,-10.3,;28.17,-11.63,;27.41,-12.97,;25.87,-12.98,;25.12,-14.3,;29.71,-11.62,;30.48,-12.95,;32.02,-12.95,;32.79,-11.61,;32,-10.27,;30.47,-10.29,;21.36,-16.13,;20.02,-15.37,;20.02,-13.83,;18.69,-16.14,;18.69,-17.68,;20.03,-18.45,;21.36,-17.68,)| Show InChI InChI=1S/C29H30N8/c1-35-11-13-36(14-12-35)23-15-22(16-23)29-34-26(27-28(30)31-18-32-37(27)29)21-8-7-20-9-10-24(33-25(20)17-21)19-5-3-2-4-6-19/h2-10,17-18,22-23H,11-16H2,1H3,(H2,30,31,32)/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339061
(4-(3-(4-amino-5-(2-phenylquinolin-7-yl)imidazo[1,5...)Show SMILES Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O |r,wU:26.30,28.35,(-7.24,-13.78,;-7.23,-15.32,;-8.56,-16.09,;-8.56,-17.63,;-7.23,-18.41,;-5.9,-17.63,;-4.43,-18.1,;-3.52,-16.85,;-4.43,-15.61,;-3.68,-14.27,;-4.46,-12.95,;-3.7,-11.61,;-2.16,-11.59,;-1.4,-10.26,;.14,-10.24,;.92,-11.58,;.15,-12.92,;-1.39,-12.92,;-2.13,-14.25,;2.45,-11.57,;3.23,-12.9,;4.77,-12.9,;5.53,-11.56,;4.75,-10.22,;3.21,-10.24,;-5.9,-16.08,;-3.96,-19.56,;-4.66,-20.93,;-3.28,-21.63,;-2.58,-20.26,;-2.8,-23.1,;-3.84,-24.24,;-3.37,-25.7,;-1.86,-26.03,;-.83,-24.88,;-1.3,-23.41,;-1.39,-27.49,;-2.43,-28.63,)| Show InChI InChI=1S/C29H28N8O/c30-28-27-26(21-7-6-20-8-9-24(33-25(20)16-21)19-4-2-1-3-5-19)34-29(37(27)32-17-31-28)22-14-23(15-22)36-12-10-35(18-38)11-13-36/h1-9,16-18,22-23H,10-15H2,(H2,30,31,32)/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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50339062
(4-(3-(4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)im...)Show SMILES Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O |r,wU:27.31,29.36,(5.56,-13.24,;5.57,-14.78,;4.24,-15.55,;4.24,-17.09,;5.57,-17.86,;6.9,-17.08,;8.37,-17.56,;9.28,-16.31,;8.37,-15.06,;9.12,-13.72,;8.34,-12.4,;9.1,-11.06,;10.64,-11.05,;11.4,-9.71,;12.94,-9.7,;13.72,-11.04,;12.95,-12.37,;11.41,-12.38,;10.67,-13.71,;11.45,-15.04,;15.25,-11.03,;16.03,-12.36,;17.57,-12.35,;18.33,-11.01,;17.55,-9.68,;16.01,-9.69,;6.9,-15.54,;8.84,-19.01,;8.14,-20.39,;9.52,-21.09,;10.21,-19.71,;10,-22.55,;8.96,-23.7,;9.43,-25.15,;10.94,-25.48,;11.97,-24.34,;11.5,-22.87,;11.41,-26.95,;10.37,-28.09,)| Show InChI InChI=1S/C29H27FN8O/c30-24-22(8-6-19-7-9-23(34-25(19)24)18-4-2-1-3-5-18)26-27-28(31)32-16-33-38(27)29(35-26)20-14-21(15-20)37-12-10-36(17-39)11-13-37/h1-9,16-17,20-21H,10-15H2,(H2,31,32,33)/t20-,21+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IR expressed in human HepG2 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50339064
(5-(8-fluoro-2-phenylquinolin-7-yl)-7-(3-(4-methylp...)Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(40.85,-28.31,;40.38,-26.84,;38.87,-26.51,;38.4,-25.05,;39.44,-23.91,;40.94,-24.23,;41.41,-25.7,;38.96,-22.44,;37.58,-21.74,;38.28,-20.37,;39.66,-21.07,;37.81,-18.92,;38.72,-17.67,;37.81,-16.42,;38.56,-15.08,;37.78,-13.76,;38.54,-12.42,;40.08,-12.4,;40.84,-11.07,;42.38,-11.06,;43.16,-12.39,;42.39,-13.73,;40.85,-13.74,;40.11,-15.07,;40.89,-16.39,;44.69,-12.38,;45.47,-13.72,;47.01,-13.71,;47.77,-12.37,;46.99,-11.04,;45.45,-11.05,;36.34,-16.9,;35.01,-16.13,;35,-14.59,;33.68,-16.9,;33.68,-18.45,;35.01,-19.22,;36.34,-18.44,)| Show InChI InChI=1S/C29H29FN8/c1-36-11-13-37(14-12-36)21-15-20(16-21)29-35-26(27-28(31)32-17-33-38(27)29)22-9-7-19-8-10-23(34-25(19)24(22)30)18-5-3-2-4-6-18/h2-10,17,20-21H,11-16H2,1H3,(H2,31,32,33)/t20-,21+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IR expressed in human HepG2 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IR expressed in human HepG2 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339059
(3-cyclobutyl-1-(2-phenylquinolin-7-yl)-imidazo[1,5...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)C1CCC1 Show InChI InChI=1S/C25H21N5/c26-24-23-22(29-25(18-7-4-8-18)30(23)14-13-27-24)19-10-9-17-11-12-20(28-21(17)15-19)16-5-2-1-3-6-16/h1-3,5-6,9-15,18H,4,7-8H2,(H2,26,27) | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R in presence of 100 uM ATP |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339059
(3-cyclobutyl-1-(2-phenylquinolin-7-yl)-imidazo[1,5...)Show SMILES Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)C1CCC1 Show InChI InChI=1S/C25H21N5/c26-24-23-22(29-25(18-7-4-8-18)30(23)14-13-27-24)19-10-9-17-11-12-20(28-21(17)15-19)16-5-2-1-3-6-16/h1-3,5-6,9-15,18H,4,7-8H2,(H2,26,27) | 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 | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339060
(CHEMBL1688359 | cis-3-(4-amino-5-(2-phenylquinolin...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(26.46,-7.08,;25.39,-6.01,;24.98,-7.48,;26.09,-4.63,;24.71,-3.93,;24.01,-5.31,;24.24,-2.48,;25.15,-1.23,;24.24,.02,;24.99,1.36,;24.21,2.68,;24.97,4.02,;26.51,4.03,;27.27,5.37,;28.81,5.38,;29.59,4.04,;28.82,2.71,;27.29,2.7,;26.54,1.37,;31.12,4.05,;31.9,2.72,;33.44,2.73,;34.2,4.07,;33.42,5.4,;31.88,5.39,;22.77,-.46,;21.44,.31,;21.44,1.85,;20.11,-.46,;20.11,-2.01,;21.44,-2.78,;22.77,-2,)| Show InChI InChI=1S/C25H22N6O/c1-25(32)12-18(13-25)24-30-21(22-23(26)27-14-28-31(22)24)17-8-7-16-9-10-19(29-20(16)11-17)15-5-3-2-4-6-15/h2-11,14,18,32H,12-13H2,1H3,(H2,26,27,28)/t18-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50339061
(4-(3-(4-amino-5-(2-phenylquinolin-7-yl)imidazo[1,5...)Show SMILES Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O |r,wU:26.30,28.35,(-7.24,-13.78,;-7.23,-15.32,;-8.56,-16.09,;-8.56,-17.63,;-7.23,-18.41,;-5.9,-17.63,;-4.43,-18.1,;-3.52,-16.85,;-4.43,-15.61,;-3.68,-14.27,;-4.46,-12.95,;-3.7,-11.61,;-2.16,-11.59,;-1.4,-10.26,;.14,-10.24,;.92,-11.58,;.15,-12.92,;-1.39,-12.92,;-2.13,-14.25,;2.45,-11.57,;3.23,-12.9,;4.77,-12.9,;5.53,-11.56,;4.75,-10.22,;3.21,-10.24,;-5.9,-16.08,;-3.96,-19.56,;-4.66,-20.93,;-3.28,-21.63,;-2.58,-20.26,;-2.8,-23.1,;-3.84,-24.24,;-3.37,-25.7,;-1.86,-26.03,;-.83,-24.88,;-1.3,-23.41,;-1.39,-27.49,;-2.43,-28.63,)| Show InChI InChI=1S/C29H28N8O/c30-28-27-26(21-7-6-20-8-9-24(33-25(20)16-21)19-4-2-1-3-5-19)34-29(37(27)32-17-31-28)22-14-23(15-22)36-12-10-35(18-38)11-13-36/h1-9,16-18,22-23H,10-15H2,(H2,30,31,32)/t22-,23+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IR expressed in human HepG2 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339058
(7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[1,5-...)Show SMILES Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)C1CCC1 Show InChI InChI=1S/C24H20N6/c25-23-22-21(29-24(17-7-4-8-17)30(22)27-14-26-23)18-10-9-16-11-12-19(28-20(16)13-18)15-5-2-1-3-6-15/h1-3,5-6,9-14,17H,4,7-8H2,(H2,25,26,27) | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R in presence of 100 uM ATP |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50339063
(7-(3-(4-methylpiperazin-1-yl)cyclobutyl)-5-(2-phen...)Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(25.86,-27.54,;25.39,-26.08,;23.89,-25.75,;23.42,-24.29,;24.45,-23.15,;25.96,-23.46,;26.43,-24.93,;23.97,-21.68,;22.6,-20.98,;23.3,-19.61,;24.67,-20.31,;22.82,-18.15,;23.73,-16.9,;22.82,-15.66,;23.58,-14.32,;22.79,-13,;23.55,-11.66,;25.09,-11.64,;25.85,-10.31,;27.39,-10.3,;28.17,-11.63,;27.41,-12.97,;25.87,-12.98,;25.12,-14.3,;29.71,-11.62,;30.48,-12.95,;32.02,-12.95,;32.79,-11.61,;32,-10.27,;30.47,-10.29,;21.36,-16.13,;20.02,-15.37,;20.02,-13.83,;18.69,-16.14,;18.69,-17.68,;20.03,-18.45,;21.36,-17.68,)| Show InChI InChI=1S/C29H30N8/c1-35-11-13-36(14-12-35)23-15-22(16-23)29-34-26(27-28(30)31-18-32-37(27)29)21-8-7-20-9-10-24(33-25(20)17-21)19-5-3-2-4-6-19/h2-10,17-18,22-23H,11-16H2,1H3,(H2,30,31,32)/t22-,23+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IR expressed in human HepG2 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50339058
(7-cyclobutyl-5-(2-phenylquinolin-7-yl)imidazo[1,5-...)Show SMILES Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)C1CCC1 Show InChI InChI=1S/C24H20N6/c25-23-22-21(29-24(17-7-4-8-17)30(22)27-14-26-23)18-10-9-16-11-12-19(28-20(16)13-18)15-5-2-1-3-6-15/h1-3,5-6,9-14,17H,4,7-8H2,(H2,25,26,27) | 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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50339060
(CHEMBL1688359 | cis-3-(4-amino-5-(2-phenylquinolin...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(26.46,-7.08,;25.39,-6.01,;24.98,-7.48,;26.09,-4.63,;24.71,-3.93,;24.01,-5.31,;24.24,-2.48,;25.15,-1.23,;24.24,.02,;24.99,1.36,;24.21,2.68,;24.97,4.02,;26.51,4.03,;27.27,5.37,;28.81,5.38,;29.59,4.04,;28.82,2.71,;27.29,2.7,;26.54,1.37,;31.12,4.05,;31.9,2.72,;33.44,2.73,;34.2,4.07,;33.42,5.4,;31.88,5.39,;22.77,-.46,;21.44,.31,;21.44,1.85,;20.11,-.46,;20.11,-2.01,;21.44,-2.78,;22.77,-2,)| Show InChI InChI=1S/C25H22N6O/c1-25(32)12-18(13-25)24-30-21(22-23(26)27-14-28-31(22)24)17-8-7-16-9-10-19(29-20(16)11-17)15-5-3-2-4-6-15/h2-11,14,18,32H,12-13H2,1H3,(H2,26,27,28)/t18-,25+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of auto-phosphorylation of human IR expressed in human HepG2 cells after 2 hrs by luminometry |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 1: 510-515 (2010)
Article DOI: 10.1021/ml100178g
BindingDB Entry DOI: 10.7270/Q2J966NZ |
More data for this
Ligand-Target Pair | |
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