Found 72 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)) | BDBM50209387
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NC(C)(C)CN1 |t:32| Show InChI InChI=1S/C26H27ClN6O2/c1-14-9-16(23-30-13-26(2,3)33-23)11-19-22(14)32-24(31-19)21-18(7-8-28-25(21)35)29-12-20(34)15-5-4-6-17(27)10-15/h4-11,20,34H,12-13H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,35) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209380
((S)-3-(6-bromo-4-methyl-1H-benzo[d]imidazol-2-yl)-...)Show SMILES Cc1cc(Br)cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O Show InChI InChI=1S/C22H21BrN4O2/c1-13-9-15(23)11-18-20(13)27-21(26-18)19-17(7-8-24-22(19)29)25-16(12-28)10-14-5-3-2-4-6-14/h2-9,11,16,28H,10,12H2,1H3,(H,26,27)(H2,24,25,29)/t16-/m0/s1 | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209385
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES CC1CNC(=N1)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4| Show InChI InChI=1S/C25H25ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-10,14,20,33H,11-12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50206136
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C25H24N6O2/c1-16-11-19(31-10-9-26-15-31)13-21-23(16)30-24(29-21)22-20(7-8-27-25(22)33)28-18(14-32)12-17-5-3-2-4-6-17/h2-11,13,15,18,32H,12,14H2,1H3,(H,29,30)(H2,27,28,33)/t18-/m0/s1 | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209389
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NCCCN1 |t:32| Show InChI InChI=1S/C25H25ClN6O2/c1-14-10-16(23-27-7-3-8-28-23)12-19-22(14)32-24(31-19)21-18(6-9-29-25(21)34)30-13-20(33)15-4-2-5-17(26)11-15/h2,4-6,9-12,20,33H,3,7-8,13H2,1H3,(H,27,28)(H,31,32)(H2,29,30,34) | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50206120
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCc2ccccn2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C22H19N7O/c1-14-10-16(29-9-8-23-13-29)11-18-20(14)28-21(27-18)19-17(5-7-25-22(19)30)26-12-15-4-2-3-6-24-15/h2-11,13H,12H2,1H3,(H,27,28)(H2,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209392
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES CN1CCN=C1c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4| Show InChI InChI=1S/C25H25ClN6O2/c1-14-10-16(24-27-8-9-32(24)2)12-19-22(14)31-23(30-19)21-18(6-7-28-25(21)34)29-13-20(33)15-4-3-5-17(26)11-15/h3-7,10-12,20,33H,8-9,13H2,1-2H3,(H,30,31)(H2,28,29,34) | 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 | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209391
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1c[nH]c(n1)-c1cc(C)c2[nH]c(nc2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C25H23ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-11,20,33H,12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34) | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209382
(2-(4-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-...)Show SMILES CNC(=N)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H23ClN6O2/c1-12-8-14(21(25)26-2)10-17-20(12)30-22(29-17)19-16(6-7-27-23(19)32)28-11-18(31)13-4-3-5-15(24)9-13/h3-10,18,31H,11H2,1-2H3,(H2,25,26)(H,29,30)(H2,27,28,32) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209386
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES CNC(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H22ClN5O3/c1-12-8-14(22(31)25-2)10-17-20(12)29-21(28-17)19-16(6-7-26-23(19)32)27-11-18(30)13-4-3-5-15(24)9-13/h3-10,18,30H,11H2,1-2H3,(H,25,31)(H,28,29)(H2,26,27,32) | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209394
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(N)=O Show InChI InChI=1S/C22H20ClN5O3/c1-11-7-13(20(24)30)9-16-19(11)28-21(27-16)18-15(5-6-25-22(18)31)26-10-17(29)12-3-2-4-14(23)8-12/h2-9,17,29H,10H2,1H3,(H2,24,30)(H,27,28)(H2,25,26,31) | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50201124
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33) | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209393
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C25H24ClN5O3/c1-13-9-15(24(33)29-17-5-6-17)11-19-22(13)31-23(30-19)21-18(7-8-27-25(21)34)28-12-20(32)14-3-2-4-16(26)10-14/h2-4,7-11,17,20,32H,5-6,12H2,1H3,(H,29,33)(H,30,31)(H2,27,28,34) | 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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209391
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1c[nH]c(n1)-c1cc(C)c2[nH]c(nc2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C25H23ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-11,20,33H,12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34) | 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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209378
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1cccc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C21H19ClN4O2/c1-12-4-2-7-16-19(12)26-20(25-16)18-15(8-9-23-21(18)28)24-11-17(27)13-5-3-6-14(22)10-13/h2-10,17,27H,11H2,1H3,(H,25,26)(H2,23,24,28) | 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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50206120
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCc2ccccn2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C22H19N7O/c1-14-10-16(29-9-8-23-13-29)11-18-20(14)28-21(27-18)19-17(5-7-25-22(19)30)26-12-15-4-2-3-6-24-15/h2-11,13H,12H2,1H3,(H,27,28)(H2,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50206136
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C25H24N6O2/c1-16-11-19(31-10-9-26-15-31)13-21-23(16)30-24(29-21)22-20(7-8-27-25(22)33)28-18(14-32)12-17-5-3-2-4-6-17/h2-11,13,15,18,32H,12,14H2,1H3,(H,29,30)(H2,27,28,33)/t18-/m0/s1 | 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 | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209384
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES CN(C)C(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C24H24ClN5O3/c1-13-9-15(24(33)30(2)3)11-18-21(13)29-22(28-18)20-17(7-8-26-23(20)32)27-12-19(31)14-5-4-6-16(25)10-14/h4-11,19,31H,12H2,1-3H3,(H,28,29)(H2,26,27,32) | 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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50206136
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C25H24N6O2/c1-16-11-19(31-10-9-26-15-31)13-21-23(16)30-24(29-21)22-20(7-8-27-25(22)33)28-18(14-32)12-17-5-3-2-4-6-17/h2-11,13,15,18,32H,12,14H2,1H3,(H,29,30)(H2,27,28,33)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209388
((S)-4-(1-hydroxy-3-phenylpropan-2-ylamino)-3-(4-me...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c1-18-14-21(20-10-6-3-7-11-20)16-24-26(18)32-27(31-24)25-23(12-13-29-28(25)34)30-22(17-33)15-19-8-4-2-5-9-19/h2-14,16,22,33H,15,17H2,1H3,(H,31,32)(H2,29,30,34)/t22-/m0/s1 | 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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209378
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1cccc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C21H19ClN4O2/c1-12-4-2-7-16-19(12)26-20(25-16)18-15(8-9-23-21(18)28)24-11-17(27)13-5-3-6-14(22)10-13/h2-10,17,27H,11H2,1H3,(H,25,26)(H2,23,24,28) | 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 | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209380
((S)-3-(6-bromo-4-methyl-1H-benzo[d]imidazol-2-yl)-...)Show SMILES Cc1cc(Br)cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O Show InChI InChI=1S/C22H21BrN4O2/c1-13-9-15(23)11-18-20(13)27-21(26-18)19-17(7-8-24-22(19)29)25-16(12-28)10-14-5-3-2-4-6-14/h2-9,11,16,28H,10,12H2,1H3,(H,26,27)(H2,24,25,29)/t16-/m0/s1 | 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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209378
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1cccc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C21H19ClN4O2/c1-12-4-2-7-16-19(12)26-20(25-16)18-15(8-9-23-21(18)28)24-11-17(27)13-5-3-6-14(22)10-13/h2-10,17,27H,11H2,1H3,(H,25,26)(H2,23,24,28) | 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 | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209381
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCC1 Show InChI InChI=1S/C27H28ClN5O3/c1-15-11-17(26(35)31-19-7-2-3-8-19)13-21-24(15)33-25(32-21)23-20(9-10-29-27(23)36)30-14-22(34)16-5-4-6-18(28)12-16/h4-6,9-13,19,22,34H,2-3,7-8,14H2,1H3,(H,31,35)(H,32,33)(H2,29,30,36) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209380
((S)-3-(6-bromo-4-methyl-1H-benzo[d]imidazol-2-yl)-...)Show SMILES Cc1cc(Br)cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O Show InChI InChI=1S/C22H21BrN4O2/c1-13-9-15(23)11-18-20(13)27-21(26-18)19-17(7-8-24-22(19)29)25-16(12-28)10-14-5-3-2-4-6-14/h2-9,11,16,28H,10,12H2,1H3,(H,26,27)(H2,24,25,29)/t16-/m0/s1 | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209378
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1cccc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C21H19ClN4O2/c1-12-4-2-7-16-19(12)26-20(25-16)18-15(8-9-23-21(18)28)24-11-17(27)13-5-3-6-14(22)10-13/h2-10,17,27H,11H2,1H3,(H,25,26)(H2,23,24,28) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209381
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCC1 Show InChI InChI=1S/C27H28ClN5O3/c1-15-11-17(26(35)31-19-7-2-3-8-19)13-21-24(15)33-25(32-21)23-20(9-10-29-27(23)36)30-14-22(34)16-5-4-6-18(28)12-16/h4-6,9-13,19,22,34H,2-3,7-8,14H2,1H3,(H,31,35)(H,32,33)(H2,29,30,36) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209384
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES CN(C)C(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C24H24ClN5O3/c1-13-9-15(24(33)30(2)3)11-18-21(13)29-22(28-18)20-17(7-8-26-23(20)32)27-12-19(31)14-5-4-6-16(25)10-14/h4-11,19,31H,12H2,1-3H3,(H,28,29)(H2,26,27,32) | 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 | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209388
((S)-4-(1-hydroxy-3-phenylpropan-2-ylamino)-3-(4-me...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c1-18-14-21(20-10-6-3-7-11-20)16-24-26(18)32-27(31-24)25-23(12-13-29-28(25)34)30-22(17-33)15-19-8-4-2-5-9-19/h2-14,16,22,33H,15,17H2,1H3,(H,31,32)(H2,29,30,34)/t22-/m0/s1 | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209390
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C28H30ClN5O3/c1-16-12-18(27(36)32-20-8-3-2-4-9-20)14-22-25(16)34-26(33-22)24-21(10-11-30-28(24)37)31-15-23(35)17-6-5-7-19(29)13-17/h5-7,10-14,20,23,35H,2-4,8-9,15H2,1H3,(H,32,36)(H,33,34)(H2,30,31,37) | 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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209384
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES CN(C)C(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C24H24ClN5O3/c1-13-9-15(24(33)30(2)3)11-18-21(13)29-22(28-18)20-17(7-8-26-23(20)32)27-12-19(31)14-5-4-6-16(25)10-14/h4-11,19,31H,12H2,1-3H3,(H,28,29)(H2,26,27,32) | 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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209386
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES CNC(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H22ClN5O3/c1-12-8-14(22(31)25-2)10-17-20(12)29-21(28-17)19-16(6-7-26-23(19)32)27-11-18(30)13-4-3-5-15(24)9-13/h3-10,18,30H,11H2,1-2H3,(H,25,31)(H,28,29)(H2,26,27,32) | 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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209388
((S)-4-(1-hydroxy-3-phenylpropan-2-ylamino)-3-(4-me...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c1-18-14-21(20-10-6-3-7-11-20)16-24-26(18)32-27(31-24)25-23(12-13-29-28(25)34)30-22(17-33)15-19-8-4-2-5-9-19/h2-14,16,22,33H,15,17H2,1H3,(H,31,32)(H2,29,30,34)/t22-/m0/s1 | 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 | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209380
((S)-3-(6-bromo-4-methyl-1H-benzo[d]imidazol-2-yl)-...)Show SMILES Cc1cc(Br)cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O Show InChI InChI=1S/C22H21BrN4O2/c1-13-9-15(23)11-18-20(13)27-21(26-18)19-17(7-8-24-22(19)29)25-16(12-28)10-14-5-3-2-4-6-14/h2-9,11,16,28H,10,12H2,1H3,(H,26,27)(H2,24,25,29)/t16-/m0/s1 | 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 | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209383
((S)-3-(6-(4-fluorophenyl)-4-methyl-1H-benzo[d]imid...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25FN4O2/c1-17-13-20(19-7-9-21(29)10-8-19)15-24-26(17)33-27(32-24)25-23(11-12-30-28(25)35)31-22(16-34)14-18-5-3-2-4-6-18/h2-13,15,22,34H,14,16H2,1H3,(H,32,33)(H2,30,31,35)/t22-/m0/s1 | 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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209381
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCC1 Show InChI InChI=1S/C27H28ClN5O3/c1-15-11-17(26(35)31-19-7-2-3-8-19)13-21-24(15)33-25(32-21)23-20(9-10-29-27(23)36)30-14-22(34)16-5-4-6-18(28)12-16/h4-6,9-13,19,22,34H,2-3,7-8,14H2,1H3,(H,31,35)(H,32,33)(H2,29,30,36) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209388
((S)-4-(1-hydroxy-3-phenylpropan-2-ylamino)-3-(4-me...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c1-18-14-21(20-10-6-3-7-11-20)16-24-26(18)32-27(31-24)25-23(12-13-29-28(25)34)30-22(17-33)15-19-8-4-2-5-9-19/h2-14,16,22,33H,15,17H2,1H3,(H,31,32)(H2,29,30,34)/t22-/m0/s1 | 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 | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209386
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES CNC(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H22ClN5O3/c1-12-8-14(22(31)25-2)10-17-20(12)29-21(28-17)19-16(6-7-26-23(19)32)27-11-18(30)13-4-3-5-15(24)9-13/h3-10,18,30H,11H2,1-2H3,(H,25,31)(H,28,29)(H2,26,27,32) | 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 | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209383
((S)-3-(6-(4-fluorophenyl)-4-methyl-1H-benzo[d]imid...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25FN4O2/c1-17-13-20(19-7-9-21(29)10-8-19)15-24-26(17)33-27(32-24)25-23(11-12-30-28(25)35)31-22(16-34)14-18-5-3-2-4-6-18/h2-13,15,22,34H,14,16H2,1H3,(H,32,33)(H2,30,31,35)/t22-/m0/s1 | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209379
((S)-4-(1-hydroxy-3-phenylpropan-2-ylamino)-3-(6-(4...)Show SMILES COc1ccc(cc1)-c1cc(C)c2nc([nH]c2c1)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O Show InChI InChI=1S/C29H28N4O3/c1-18-14-21(20-8-10-23(36-2)11-9-20)16-25-27(18)33-28(32-25)26-24(12-13-30-29(26)35)31-22(17-34)15-19-6-4-3-5-7-19/h3-14,16,22,34H,15,17H2,1-2H3,(H,32,33)(H2,30,31,35)/t22-/m0/s1 | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209385
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES CC1CNC(=N1)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4| Show InChI InChI=1S/C25H25ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-10,14,20,33H,11-12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34) | 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 | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50209383
((S)-3-(6-(4-fluorophenyl)-4-methyl-1H-benzo[d]imid...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25FN4O2/c1-17-13-20(19-7-9-21(29)10-8-19)15-24-26(17)33-27(32-24)25-23(11-12-30-28(25)35)31-22(16-34)14-18-5-3-2-4-6-18/h2-13,15,22,34H,14,16H2,1H3,(H,32,33)(H2,30,31,35)/t22-/m0/s1 | 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 | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human IGF1R expressed in recombinant insect cells |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50206120
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCc2ccccn2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C22H19N7O/c1-14-10-16(29-9-8-23-13-29)11-18-20(14)28-21(27-18)19-17(5-7-25-22(19)30)26-12-15-4-2-3-6-24-15/h2-11,13H,12H2,1H3,(H,27,28)(H2,25,26,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209391
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1c[nH]c(n1)-c1cc(C)c2[nH]c(nc2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C25H23ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-11,20,33H,12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34) | 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 | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209383
((S)-3-(6-(4-fluorophenyl)-4-methyl-1H-benzo[d]imid...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25FN4O2/c1-17-13-20(19-7-9-21(29)10-8-19)15-24-26(17)33-27(32-24)25-23(11-12-30-28(25)35)31-22(16-34)14-18-5-3-2-4-6-18/h2-13,15,22,34H,14,16H2,1H3,(H,32,33)(H2,30,31,35)/t22-/m0/s1 | 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 | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209390
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C28H30ClN5O3/c1-16-12-18(27(36)32-20-8-3-2-4-9-20)14-22-25(16)34-26(33-22)24-21(10-11-30-28(24)37)31-15-23(35)17-6-5-7-19(29)13-17/h5-7,10-14,20,23,35H,2-4,8-9,15H2,1H3,(H,32,36)(H,33,34)(H2,30,31,37) | 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 | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209379
((S)-4-(1-hydroxy-3-phenylpropan-2-ylamino)-3-(6-(4...)Show SMILES COc1ccc(cc1)-c1cc(C)c2nc([nH]c2c1)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O Show InChI InChI=1S/C29H28N4O3/c1-18-14-21(20-8-10-23(36-2)11-9-20)16-25-27(18)33-28(32-25)26-24(12-13-30-29(26)35)31-22(17-34)15-19-6-4-3-5-7-19/h3-14,16,22,34H,15,17H2,1-2H3,(H,32,33)(H2,30,31,35)/t22-/m0/s1 | 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 | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209391
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1c[nH]c(n1)-c1cc(C)c2[nH]c(nc2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C25H23ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-11,20,33H,12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34) | 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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209393
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C25H24ClN5O3/c1-13-9-15(24(33)29-17-5-6-17)11-19-22(13)31-23(30-19)21-18(7-8-27-25(21)34)28-12-20(32)14-3-2-4-16(26)10-14/h2-4,7-11,17,20,32H,5-6,12H2,1H3,(H,29,33)(H,30,31)(H2,27,28,34) | 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 | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209381
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCC1 Show InChI InChI=1S/C27H28ClN5O3/c1-15-11-17(26(35)31-19-7-2-3-8-19)13-21-24(15)33-25(32-21)23-20(9-10-29-27(23)36)30-14-22(34)16-5-4-6-18(28)12-16/h4-6,9-13,19,22,34H,2-3,7-8,14H2,1H3,(H,31,35)(H,32,33)(H2,29,30,36) | 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 | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209385
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES CC1CNC(=N1)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4| Show InChI InChI=1S/C25H25ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-10,14,20,33H,11-12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34) | 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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209393
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C25H24ClN5O3/c1-13-9-15(24(33)29-17-5-6-17)11-19-22(13)31-23(30-19)21-18(7-8-27-25(21)34)28-12-20(32)14-3-2-4-16(26)10-14/h2-4,7-11,17,20,32H,5-6,12H2,1H3,(H,29,33)(H,30,31)(H2,27,28,34) | 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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209390
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C28H30ClN5O3/c1-16-12-18(27(36)32-20-8-3-2-4-9-20)14-22-25(16)34-26(33-22)24-21(10-11-30-28(24)37)31-15-23(35)17-6-5-7-19(29)13-17/h5-7,10-14,20,23,35H,2-4,8-9,15H2,1H3,(H,32,36)(H,33,34)(H2,30,31,37) | 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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209379
((S)-4-(1-hydroxy-3-phenylpropan-2-ylamino)-3-(6-(4...)Show SMILES COc1ccc(cc1)-c1cc(C)c2nc([nH]c2c1)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O Show InChI InChI=1S/C29H28N4O3/c1-18-14-21(20-8-10-23(36-2)11-9-20)16-25-27(18)33-28(32-25)26-24(12-13-30-29(26)35)31-22(17-34)15-19-6-4-3-5-7-19/h3-14,16,22,34H,15,17H2,1-2H3,(H,32,33)(H2,30,31,35)/t22-/m0/s1 | 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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209387
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NC(C)(C)CN1 |t:32| Show InChI InChI=1S/C26H27ClN6O2/c1-14-9-16(23-30-13-26(2,3)33-23)11-19-22(14)32-24(31-19)21-18(7-8-28-25(21)35)29-12-20(34)15-5-4-6-17(27)10-15/h4-11,20,34H,12-13H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,35) | 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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209379
((S)-4-(1-hydroxy-3-phenylpropan-2-ylamino)-3-(6-(4...)Show SMILES COc1ccc(cc1)-c1cc(C)c2nc([nH]c2c1)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O Show InChI InChI=1S/C29H28N4O3/c1-18-14-21(20-8-10-23(36-2)11-9-20)16-25-27(18)33-28(32-25)26-24(12-13-30-29(26)35)31-22(17-34)15-19-6-4-3-5-7-19/h3-14,16,22,34H,15,17H2,1-2H3,(H,32,33)(H2,30,31,35)/t22-/m0/s1 | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209387
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NC(C)(C)CN1 |t:32| Show InChI InChI=1S/C26H27ClN6O2/c1-14-9-16(23-30-13-26(2,3)33-23)11-19-22(14)32-24(31-19)21-18(7-8-28-25(21)35)29-12-20(34)15-5-4-6-17(27)10-15/h4-11,20,34H,12-13H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,35) | 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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209382
(2-(4-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-...)Show SMILES CNC(=N)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H23ClN6O2/c1-12-8-14(21(25)26-2)10-17-20(12)30-22(29-17)19-16(6-7-27-23(19)32)28-11-18(31)13-4-3-5-15(24)9-13/h3-10,18,31H,11H2,1-2H3,(H2,25,26)(H,29,30)(H2,27,28,32) | 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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209384
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES CN(C)C(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C24H24ClN5O3/c1-13-9-15(24(33)30(2)3)11-18-21(13)29-22(28-18)20-17(7-8-26-23(20)32)27-12-19(31)14-5-4-6-16(25)10-14/h4-11,19,31H,12H2,1-3H3,(H,28,29)(H2,26,27,32) | 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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209389
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NCCCN1 |t:32| Show InChI InChI=1S/C25H25ClN6O2/c1-14-10-16(23-27-7-3-8-28-23)12-19-22(14)32-24(31-19)21-18(6-9-29-25(21)34)30-13-20(33)15-4-2-5-17(26)11-15/h2,4-6,9-12,20,33H,3,7-8,13H2,1H3,(H,27,28)(H,31,32)(H2,29,30,34) | 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 | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209389
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NCCCN1 |t:32| Show InChI InChI=1S/C25H25ClN6O2/c1-14-10-16(23-27-7-3-8-28-23)12-19-22(14)32-24(31-19)21-18(6-9-29-25(21)34)30-13-20(33)15-4-2-5-17(26)11-15/h2,4-6,9-12,20,33H,3,7-8,13H2,1H3,(H,27,28)(H,31,32)(H2,29,30,34) | 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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209386
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES CNC(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H22ClN5O3/c1-12-8-14(22(31)25-2)10-17-20(12)29-21(28-17)19-16(6-7-26-23(19)32)27-11-18(30)13-4-3-5-15(24)9-13/h3-10,18,30H,11H2,1-2H3,(H,25,31)(H,28,29)(H2,26,27,32) | 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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209382
(2-(4-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-...)Show SMILES CNC(=N)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H23ClN6O2/c1-12-8-14(21(25)26-2)10-17-20(12)30-22(29-17)19-16(6-7-27-23(19)32)28-11-18(31)13-4-3-5-15(24)9-13/h3-10,18,31H,11H2,1-2H3,(H2,25,26)(H,29,30)(H2,27,28,32) | 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 | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209392
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES CN1CCN=C1c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4| Show InChI InChI=1S/C25H25ClN6O2/c1-14-10-16(24-27-8-9-32(24)2)12-19-22(14)31-23(30-19)21-18(6-7-28-25(21)34)29-13-20(33)15-4-3-5-17(26)11-15/h3-7,10-12,20,33H,8-9,13H2,1-2H3,(H,30,31)(H2,28,29,34) | 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 | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209387
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NC(C)(C)CN1 |t:32| Show InChI InChI=1S/C26H27ClN6O2/c1-14-9-16(23-30-13-26(2,3)33-23)11-19-22(14)32-24(31-19)21-18(7-8-28-25(21)35)29-12-20(34)15-5-4-6-17(27)10-15/h4-11,20,34H,12-13H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,35) | 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 | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209392
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES CN1CCN=C1c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4| Show InChI InChI=1S/C25H25ClN6O2/c1-14-10-16(24-27-8-9-32(24)2)12-19-22(14)31-23(30-19)21-18(6-7-28-25(21)34)29-13-20(33)15-4-3-5-17(26)11-15/h3-7,10-12,20,33H,8-9,13H2,1-2H3,(H,30,31)(H2,28,29,34) | 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 | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209390
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C28H30ClN5O3/c1-16-12-18(27(36)32-20-8-3-2-4-9-20)14-22-25(16)34-26(33-22)24-21(10-11-30-28(24)37)31-15-23(35)17-6-5-7-19(29)13-17/h5-7,10-14,20,23,35H,2-4,8-9,15H2,1H3,(H,32,36)(H,33,34)(H2,30,31,37) | 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 | 5.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209385
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES CC1CNC(=N1)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4| Show InChI InChI=1S/C25H25ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-10,14,20,33H,11-12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34) | 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 | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209382
(2-(4-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-...)Show SMILES CNC(=N)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H23ClN6O2/c1-12-8-14(21(25)26-2)10-17-20(12)30-22(29-17)19-16(6-7-27-23(19)32)28-11-18(31)13-4-3-5-15(24)9-13/h3-10,18,31H,11H2,1-2H3,(H2,25,26)(H,29,30)(H2,27,28,32) | 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 | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209392
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES CN1CCN=C1c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4| Show InChI InChI=1S/C25H25ClN6O2/c1-14-10-16(24-27-8-9-32(24)2)12-19-22(14)31-23(30-19)21-18(6-7-28-25(21)34)29-13-20(33)15-4-3-5-17(26)11-15/h3-7,10-12,20,33H,8-9,13H2,1-2H3,(H,30,31)(H2,28,29,34) | 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 | 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50209393
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C25H24ClN5O3/c1-13-9-15(24(33)29-17-5-6-17)11-19-22(13)31-23(30-19)21-18(7-8-27-25(21)34)28-12-20(32)14-3-2-4-16(26)10-14/h2-4,7-11,17,20,32H,5-6,12H2,1H3,(H,29,33)(H,30,31)(H2,27,28,34) | 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 | 9.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209389
(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-me...)Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NCCCN1 |t:32| Show InChI InChI=1S/C25H25ClN6O2/c1-14-10-16(23-27-7-3-8-28-23)12-19-22(14)32-24(31-19)21-18(6-9-29-25(21)34)30-13-20(33)15-4-2-5-17(26)11-15/h2,4-6,9-12,20,33H,3,7-8,13H2,1H3,(H,27,28)(H,31,32)(H2,29,30,34) | 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 | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in microsomes |
Bioorg Med Chem Lett 17: 3072-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71 |
More data for this
Ligand-Target Pair | |
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