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 |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50371875
(CHEMBL270996)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1 | 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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50371877
(CHEMBL408443)Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 using 7-benzyl-trifluoromethyl coumarin |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50371875
(CHEMBL270996)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1 | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50371875
(CHEMBL270996)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1 | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 using 7-benzyl-trifluoromethyl coumarin |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50371875
(CHEMBL270996)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1 | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 using 7-benzyloxyresorufin |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50371877
(CHEMBL408443)Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 using 7-benzyloxyresorufin |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50371876
(BMS-582664 | CHEMBL408444)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 using 7-benzyl-trifluoromethyl coumarin |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50371876
(BMS-582664 | CHEMBL408444)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
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 Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 using 7-benzyloxyresorufin |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50371877
(CHEMBL408443)Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50371876
(BMS-582664 | CHEMBL408444)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50371877
(CHEMBL408443)Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50371875
(CHEMBL270996)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1 | 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 | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50371876
(BMS-582664 | CHEMBL408444)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50371875
(CHEMBL270996)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | 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 | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 using 7-benzyl-trifluoromethyl coumarin |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50371876
(BMS-582664 | CHEMBL408444)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50371877
(CHEMBL408443)Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50371877
(CHEMBL408443)Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB
MMDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 using 7-benzyloxyresorufin |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50371876
(BMS-582664 | CHEMBL408444)Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 51: 1976-80 (2008)
Article DOI: 10.1021/jm7013309
BindingDB Entry DOI: 10.7270/Q2GH9JTX |
More data for this
Ligand-Target Pair | |
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