Found 49 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 2C19
(Homo sapiens (Human)) | BDBM50302545
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/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 | 2.60E+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 recombinant CYP2C19 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50302545
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+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 recombinant CYP2D6 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50302545
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/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 | 5.20E+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 recombinant CYP2C9 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50302544
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/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 | 7.20E+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 recombinant CYP2C19 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50228518
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.90E+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 recombinant CYP2C9 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302543
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/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 | 9.30E+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 recombinant CYP3A4 using 7-benzyloxyresorufin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50133282
((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)Show SMILES COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 |r| Show InChI InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
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 recombinant CYP2D6 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50228518
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C19 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50228518
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+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 recombinant CYP2D6 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50302544
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/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 | 1.70E+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 recombinant CYP2C9 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50302543
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/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 | 1.70E+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 recombinant CYP2C19 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302543
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/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 | 1.80E+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 recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50228465
(1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-py...)Show SMILES COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 Show InChI InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+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 recombinant CYP2C9 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50302542
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/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 | 3.60E+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 recombinant CYP2C19 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50302544
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.80E+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 recombinant CYP2D6 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50302542
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/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 | >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 recombinant CYP2C9 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50302542
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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 recombinant CYP2D6 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302544
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| 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 recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50228465
(1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-py...)Show SMILES COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 Show InChI InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3 | PDB
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| 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 recombinant CYP2D6 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50228518
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
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| 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 recombinant CYP1A2 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50302543
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1 | PDB
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Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2D6 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302542
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1 | PDB
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UniChem
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| 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 recombinant CYP3A4 using 7-benzyloxyresorufin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50228518
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
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| 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 recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50228465
(1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-py...)Show SMILES COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 Show InChI InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3 | PDB
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| 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 recombinant CYP3A4 using 7-benzyloxyresorufin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50228465
(1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-py...)Show SMILES COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 Show InChI InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3 | PDB
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Reactome pathway
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| 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 recombinant CYP2C19 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50228465
(1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-py...)Show SMILES COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 Show InChI InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3 | PDB
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| 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 recombinant CYP1A2 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50302544
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1 | PDB
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Reactome pathway
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| CHEMBL
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UniChem
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| Article
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| 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 recombinant CYP1A2 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50302543
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1 | PDB
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Reactome pathway
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UniChem
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| 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 recombinant CYP1A2 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50302542
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1 | PDB
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Reactome pathway
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| 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 recombinant CYP1A2 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50133282
((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)Show SMILES COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 |r| Show InChI InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 | PDB
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| 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 recombinant CYP2C9 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50302543
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| 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 recombinant CYP2C9 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302542
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1 | PDB
MMDB
Reactome pathway
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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 recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302545
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| 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 recombinant CYP3A4 using 7-benzyloxyresorufin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50228518
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
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Reactome pathway
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| 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 recombinant CYP3A4 using 7-benzyloxyresorufin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302544
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/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+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 recombinant CYP3A4 using 7-benzyloxyresorufin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50228465
(1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-py...)Show SMILES COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 Show InChI InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3 | PDB
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Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50133282
((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)Show SMILES COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 |r| Show InChI InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 | PDB
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Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP3A4 using 7-benzyloxyresorufin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50133282
((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)Show SMILES COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 |r| Show InChI InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 | PDB
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Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C19 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50133282
((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)Show SMILES COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 |r| Show InChI InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 | PDB
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| 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 recombinant CYP1A2 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302545
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1 | PDB
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| 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 recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50302545
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1 | PDB
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| 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 recombinant CYP1A2 |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50133282
((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)Show SMILES COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 |r| Show InChI InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 | PDB
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| 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 recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302544
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1 | PDB
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Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by channel flux assay |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50133282
((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)Show SMILES COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 |r| Show InChI InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 | PDB
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| n/a | n/a | >8.00E+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 ERG by channel flux assay |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50228465
(1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-py...)Show SMILES COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 Show InChI InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3 | PDB
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| n/a | n/a | >8.00E+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 ERG by channel flux assay |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50228518
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
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Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by channel flux assay |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302545
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1 | PDB
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| n/a | n/a | >8.00E+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 ERG by channel flux assay |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302542
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1 | PDB
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| n/a | n/a | >8.00E+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 ERG by channel flux assay |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302543
((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...)Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1 | PDB
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| n/a | n/a | >8.00E+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 ERG by channel flux assay |
J Med Chem 52: 7778-87 (2009)
Article DOI: 10.1021/jm900843g
BindingDB Entry DOI: 10.7270/Q2Q81D5G |
More data for this
Ligand-Target Pair | |
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