Found 65 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 3A4
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50121975
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090677
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180847
(CHEMBL3408523)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3 | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50236897
(3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...)Show InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180846
(CHEMBL211204)Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3 | 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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180841
(CHEMBL3819606)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180842
(CHEMBL3818643)Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180846
(CHEMBL211204)Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180844
(CHEMBL3818560)Show InChI InChI=1S/C18H16N2O4S/c1-3-23-18(12-8-10-13(22-2)11-9-12)16-19-24-17(21)20(16)14-6-4-5-7-15(14)25-18/h4-11H,3H2,1-2H3 | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180846
(CHEMBL211204)Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180840
(CHEMBL3819185)Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3 | 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 | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180847
(CHEMBL3408523)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180842
(CHEMBL3818643)Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180843
(CHEMBL3819226)Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3 | 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 | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180847
(CHEMBL3408523)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3 | 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 | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180847
(CHEMBL3408523)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180849
(CHEMBL3408529)Show SMILES FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1 Show InChI InChI=1S/C17H10BrF3N2O3S/c18-11-7-5-10(6-8-11)17(25-9-16(19,20)21)14-22-26-15(24)23(14)12-3-1-2-4-13(12)27-17/h1-8H,9H2 | 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 | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180844
(CHEMBL3818560)Show InChI InChI=1S/C18H16N2O4S/c1-3-23-18(12-8-10-13(22-2)11-9-12)16-19-24-17(21)20(16)14-6-4-5-7-15(14)25-18/h4-11H,3H2,1-2H3 | 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 | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180842
(CHEMBL3818643)Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180842
(CHEMBL3818643)Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3 | 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 | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180842
(CHEMBL3818643)Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3 | 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 | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180841
(CHEMBL3819606)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180840
(CHEMBL3819185)Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180845
(CHEMBL3819349)Show SMILES COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O Show InChI InChI=1S/C18H13F3N2O4S/c1-25-12-8-6-11(7-9-12)18(26-10-17(19,20)21)15-22-27-16(24)23(15)13-4-2-3-5-14(13)28-18/h2-9H,10H2,1H3 | 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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180846
(CHEMBL211204)Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3 | 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 | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180841
(CHEMBL3819606)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3 | 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 | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180843
(CHEMBL3819226)Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3 | 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 | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180840
(CHEMBL3819185)Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3 | 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 | 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180846
(CHEMBL211204)Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3 | 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 | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180842
(CHEMBL3818643)Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3 | 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 | 1.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180845
(CHEMBL3819349)Show SMILES COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O Show InChI InChI=1S/C18H13F3N2O4S/c1-25-12-8-6-11(7-9-12)18(26-10-17(19,20)21)15-22-27-16(24)23(15)13-4-2-3-5-14(13)28-18/h2-9H,10H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180849
(CHEMBL3408529)Show SMILES FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1 Show InChI InChI=1S/C17H10BrF3N2O3S/c18-11-7-5-10(6-8-11)17(25-9-16(19,20)21)14-22-26-15(24)23(14)12-3-1-2-4-13(12)27-17/h1-8H,9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180841
(CHEMBL3819606)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180845
(CHEMBL3819349)Show SMILES COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O Show InChI InChI=1S/C18H13F3N2O4S/c1-25-12-8-6-11(7-9-12)18(26-10-17(19,20)21)15-22-27-16(24)23(15)13-4-2-3-5-14(13)28-18/h2-9H,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180848
(CHEMBL3408526)Show InChI InChI=1S/C17H13BrN2O3S/c1-2-22-17(11-7-9-12(18)10-8-11)15-19-23-16(21)20(15)13-5-3-4-6-14(13)24-17/h3-10H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180840
(CHEMBL3819185)Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180843
(CHEMBL3819226)Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180848
(CHEMBL3408526)Show InChI InChI=1S/C17H13BrN2O3S/c1-2-22-17(11-7-9-12(18)10-8-11)15-19-23-16(21)20(15)13-5-3-4-6-14(13)24-17/h3-10H,2H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180849
(CHEMBL3408529)Show SMILES FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1 Show InChI InChI=1S/C17H10BrF3N2O3S/c18-11-7-5-10(6-8-11)17(25-9-16(19,20)21)14-22-26-15(24)23(14)12-3-1-2-4-13(12)27-17/h1-8H,9H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180847
(CHEMBL3408523)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180849
(CHEMBL3408529)Show SMILES FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1 Show InChI InChI=1S/C17H10BrF3N2O3S/c18-11-7-5-10(6-8-11)17(25-9-16(19,20)21)14-22-26-15(24)23(14)12-3-1-2-4-13(12)27-17/h1-8H,9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180843
(CHEMBL3819226)Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180844
(CHEMBL3818560)Show InChI InChI=1S/C18H16N2O4S/c1-3-23-18(12-8-10-13(22-2)11-9-12)16-19-24-17(21)20(16)14-6-4-5-7-15(14)25-18/h4-11H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50180848
(CHEMBL3408526)Show InChI InChI=1S/C17H13BrN2O3S/c1-2-22-17(11-7-9-12(18)10-8-11)15-19-23-16(21)20(15)13-5-3-4-6-14(13)24-17/h3-10H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180845
(CHEMBL3819349)Show SMILES COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O Show InChI InChI=1S/C18H13F3N2O4S/c1-25-12-8-6-11(7-9-12)18(26-10-17(19,20)21)15-22-27-16(24)23(15)13-4-2-3-5-14(13)28-18/h2-9H,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180846
(CHEMBL211204)Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180844
(CHEMBL3818560)Show InChI InChI=1S/C18H16N2O4S/c1-3-23-18(12-8-10-13(22-2)11-9-12)16-19-24-17(21)20(16)14-6-4-5-7-15(14)25-18/h4-11H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180848
(CHEMBL3408526)Show InChI InChI=1S/C17H13BrN2O3S/c1-2-22-17(11-7-9-12(18)10-8-11)15-19-23-16(21)20(15)13-5-3-4-6-14(13)24-17/h3-10H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180849
(CHEMBL3408529)Show SMILES FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1 Show InChI InChI=1S/C17H10BrF3N2O3S/c18-11-7-5-10(6-8-11)17(25-9-16(19,20)21)14-22-26-15(24)23(14)12-3-1-2-4-13(12)27-17/h1-8H,9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50180844
(CHEMBL3818560)Show InChI InChI=1S/C18H16N2O4S/c1-3-23-18(12-8-10-13(22-2)11-9-12)16-19-24-17(21)20(16)14-6-4-5-7-15(14)25-18/h4-11H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180848
(CHEMBL3408526)Show InChI InChI=1S/C17H13BrN2O3S/c1-2-22-17(11-7-9-12(18)10-8-11)15-19-23-16(21)20(15)13-5-3-4-6-14(13)24-17/h3-10H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180848
(CHEMBL3408526)Show InChI InChI=1S/C17H13BrN2O3S/c1-2-22-17(11-7-9-12(18)10-8-11)15-19-23-16(21)20(15)13-5-3-4-6-14(13)24-17/h3-10H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50180845
(CHEMBL3819349)Show SMILES COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O Show InChI InChI=1S/C18H13F3N2O4S/c1-25-12-8-6-11(7-9-12)18(26-10-17(19,20)21)15-22-27-16(24)23(15)13-4-2-3-5-14(13)28-18/h2-9H,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180845
(CHEMBL3819349)Show SMILES COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O Show InChI InChI=1S/C18H13F3N2O4S/c1-25-12-8-6-11(7-9-12)18(26-10-17(19,20)21)15-22-27-16(24)23(15)13-4-2-3-5-14(13)28-18/h2-9H,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180841
(CHEMBL3819606)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180840
(CHEMBL3819185)Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180843
(CHEMBL3819226)Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180847
(CHEMBL3408523)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180844
(CHEMBL3818560)Show InChI InChI=1S/C18H16N2O4S/c1-3-23-18(12-8-10-13(22-2)11-9-12)16-19-24-17(21)20(16)14-6-4-5-7-15(14)25-18/h4-11H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180841
(CHEMBL3819606)Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50180849
(CHEMBL3408529)Show SMILES FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1 Show InChI InChI=1S/C17H10BrF3N2O3S/c18-11-7-5-10(6-8-11)17(25-9-16(19,20)21)14-22-26-15(24)23(14)12-3-1-2-4-13(12)27-17/h1-8H,9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50180840
(CHEMBL3819185)Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this
Ligand-Target Pair | |
Search and Browse
