Found 60 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 1A2
(Homo sapiens (Human)) | BDBM50334942
(1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-in...)Show InChI InChI=1S/C16H15F3N2O/c1-10(22)11-6-8-12(9-7-11)21-14-5-3-2-4-13(14)15(20-21)16(17,18)19/h6-9H,2-5H2,1H3 | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334936
(CHEMBL1649665 | N-cyclopentyl-2-{4-[3-(trifluorome...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CC(=O)NC2CCCC2)cc1 Show InChI InChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334935
(1-{4-[1-(1-pyrrolidinylcarbonyl)cyclopropyl]phenyl...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(cc1)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)19-17-5-1-2-6-18(17)28(26-19)16-9-7-15(8-10-16)21(11-12-21)20(29)27-13-3-4-14-27/h7-10H,1-6,11-14H2 | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334936
(CHEMBL1649665 | N-cyclopentyl-2-{4-[3-(trifluorome...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CC(=O)NC2CCCC2)cc1 Show InChI InChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334939
(1-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-i...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C19H20F3N3O/c20-19(21,22)18-15-4-1-2-5-16(15)25(23-18)14-9-7-13(8-10-14)12-24-11-3-6-17(24)26/h7-10H,1-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334948
(CHEMBL1649654 | N-methyl-N-(2-phenylethyl)-4-[3-(t...)Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O/c1-29(16-15-17-7-3-2-4-8-17)23(31)18-11-13-19(14-12-18)30-21-10-6-5-9-20(21)22(28-30)24(25,26)27/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334940
(1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]pheny...)Show SMILES CC(C(=O)N1CCCC1)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C21H24F3N3O/c1-14(20(28)26-12-4-5-13-26)15-8-10-16(11-9-15)27-18-7-3-2-6-17(18)19(25-27)21(22,23)24/h8-11,14H,2-7,12-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334947
(CHEMBL1649655 | N,N-dimethyl-4-[3-(trifluoromethyl...)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C16H18F3N3O2S/c1-21(2)25(23,24)12-9-7-11(8-10-12)22-14-6-4-3-5-13(14)15(20-22)16(17,18)19/h7-10H,3-6H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334937
(1-({2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrah...)Show SMILES Fc1cc(ccc1CN1CCCC1=O)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C19H19F4N3O/c20-15-10-13(8-7-12(15)11-25-9-3-6-17(25)27)26-16-5-2-1-4-14(16)18(24-26)19(21,22)23/h7-8,10H,1-6,9,11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334949
(1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-in...)Show InChI InChI=1S/C17H17F3N2O/c1-11(23)10-12-6-8-13(9-7-12)22-15-5-3-2-4-14(15)16(21-22)17(18,19)20/h6-9H,2-5,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334946
(1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TR...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CC(=O)N2CCCC2)cc1 Show InChI InChI=1S/C20H22F3N3O/c21-20(22,23)19-16-5-1-2-6-17(16)26(24-19)15-9-7-14(8-10-15)13-18(27)25-11-3-4-12-25/h7-10H,1-6,11-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334948
(CHEMBL1649654 | N-methyl-N-(2-phenylethyl)-4-[3-(t...)Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O/c1-29(16-15-17-7-3-2-4-8-17)23(31)18-11-13-19(14-12-18)30-21-10-6-5-9-20(21)22(28-30)24(25,26)27/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334938
(CHEMBL1649672 | N-({4-[3-(trifluoromethyl)-4,5,6,7...)Show SMILES CCC(=O)NCc1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O/c1-2-16(25)22-11-12-7-9-13(10-8-12)24-15-6-4-3-5-14(15)17(23-24)18(19,20)21/h7-10H,2-6,11H2,1H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334941
(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-4...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O2S/c1-23(21,22)11-8-6-10(7-9-11)20-13-5-3-2-4-12(13)14(19-20)15(16,17)18/h6-9H,2-5H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334945
(1-{4-[1,1-difluoro-2-oxo-2-(1-pyrrolidinyl)ethyl]p...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(cc1)C(F)(F)C(=O)N1CCCC1 Show InChI InChI=1S/C20H20F5N3O/c21-19(22,18(29)27-11-3-4-12-27)13-7-9-14(10-8-13)28-16-6-2-1-5-15(16)17(26-28)20(23,24)25/h7-10H,1-6,11-12H2 | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334942
(1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-in...)Show InChI InChI=1S/C16H15F3N2O/c1-10(22)11-6-8-12(9-7-11)21-14-5-3-2-4-13(14)15(20-21)16(17,18)19/h6-9H,2-5H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334939
(1-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-i...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C19H20F3N3O/c20-19(21,22)18-15-4-1-2-5-16(15)25(23-18)14-9-7-13(8-10-14)12-24-11-3-6-17(24)26/h7-10H,1-6,11-12H2 | 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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334941
(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-4...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O2S/c1-23(21,22)11-8-6-10(7-9-11)20-13-5-3-2-4-12(13)14(19-20)15(16,17)18/h6-9H,2-5H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334940
(1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]pheny...)Show SMILES CC(C(=O)N1CCCC1)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C21H24F3N3O/c1-14(20(28)26-12-4-5-13-26)15-8-10-16(11-9-15)27-18-7-3-2-6-17(18)19(25-27)21(22,23)24/h8-11,14H,2-7,12-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334932
(CHEMBL1649660 | N-butyl-N-methyl-4-[3-(trifluorome...)Show SMILES CCCCN(C)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C20H24F3N3O/c1-3-4-13-25(2)19(27)14-9-11-15(12-10-14)26-17-8-6-5-7-16(17)18(24-26)20(21,22)23/h9-12H,3-8,13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334950
(CHEMBL1594422 | N,N-Dimethyl-4-[3-(trifluoromethyl...)Show SMILES CN(C)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O/c1-22(2)16(24)11-7-9-12(10-8-11)23-14-6-4-3-5-13(14)15(21-23)17(18,19)20/h7-10H,3-6H2,1-2H3 | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334943
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C19H20F3N3O/c20-19(21,22)17-15-5-1-2-6-16(15)25(23-17)14-9-7-13(8-10-14)18(26)24-11-3-4-12-24/h7-10H,1-6,11-12H2 | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334935
(1-{4-[1-(1-pyrrolidinylcarbonyl)cyclopropyl]phenyl...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(cc1)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)19-17-5-1-2-6-18(17)28(26-19)16-9-7-15(8-10-16)21(11-12-21)20(29)27-13-3-4-14-27/h7-10H,1-6,11-14H2 | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334944
(1-{3-Fluoro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]pheny...)Show SMILES Fc1cc(ccc1CC(=O)N1CCCC1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C20H21F4N3O/c21-16-12-14(8-7-13(16)11-18(28)26-9-3-4-10-26)27-17-6-2-1-5-15(17)19(25-27)20(22,23)24/h7-8,12H,1-6,9-11H2 | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334931
(CHEMBL1649663 | N,N-Dimethyl-2-{4-[3-(trifluoromet...)Show SMILES CN(C)C(=O)Cc1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O/c1-23(2)16(25)11-12-7-9-13(10-8-12)24-15-6-4-3-5-14(15)17(22-24)18(19,20)21/h7-10H,3-6,11H2,1-2H3 | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334935
(1-{4-[1-(1-pyrrolidinylcarbonyl)cyclopropyl]phenyl...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(cc1)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)19-17-5-1-2-6-18(17)28(26-19)16-9-7-15(8-10-16)21(11-12-21)20(29)27-13-3-4-14-27/h7-10H,1-6,11-14H2 | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334938
(CHEMBL1649672 | N-({4-[3-(trifluoromethyl)-4,5,6,7...)Show SMILES CCC(=O)NCc1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O/c1-2-16(25)22-11-12-7-9-13(10-8-12)24-15-6-4-3-5-14(15)17(23-24)18(19,20)21/h7-10H,2-6,11H2,1H3,(H,22,25) | PDB
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| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334929
(1-({4-[3-(Trifluoromethyl)-6,7-dihydropyrano[4,3-c...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-11-26-9-7-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
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| n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334929
(1-({4-[3-(Trifluoromethyl)-6,7-dihydropyrano[4,3-c...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-11-26-9-7-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
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| n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334932
(CHEMBL1649660 | N-butyl-N-methyl-4-[3-(trifluorome...)Show SMILES CCCCN(C)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C20H24F3N3O/c1-3-4-13-25(2)19(27)14-9-11-15(12-10-14)26-17-8-6-5-7-16(17)18(24-26)20(21,22)23/h9-12H,3-8,13H2,1-2H3 | PDB
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| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334929
(1-({4-[3-(Trifluoromethyl)-6,7-dihydropyrano[4,3-c...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-11-26-9-7-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
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| n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334929
(1-({4-[3-(Trifluoromethyl)-6,7-dihydropyrano[4,3-c...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-11-26-9-7-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
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| n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334936
(CHEMBL1649665 | N-cyclopentyl-2-{4-[3-(trifluorome...)Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CC(=O)NC2CCCC2)cc1 Show InChI InChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28) | PDB
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| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334929
(1-({4-[3-(Trifluoromethyl)-6,7-dihydropyrano[4,3-c...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-11-26-9-7-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
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| n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334937
(1-({2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrah...)Show SMILES Fc1cc(ccc1CN1CCCC1=O)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C19H19F4N3O/c20-15-10-13(8-7-12(15)11-25-9-3-6-17(25)27)26-16-5-2-1-4-14(16)18(24-26)19(21,22)23/h7-8,10H,1-6,9,11H2 | PDB
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| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334933
(1-({4-[6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrah...)Show SMILES CN1CCc2c(C1)n(nc2C(F)(F)F)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C19H21F3N4O/c1-24-10-8-15-16(12-24)26(23-18(15)19(20,21)22)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3 | PDB
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Reactome pathway
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PC sid
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334927
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-7-10-26-11-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
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Reactome pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334934
(1-({4-[3-(Trifluoromethyl)-4,7-dihydropyrano[3,4-c...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-7-9-26-11-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
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Reactome pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334927
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-7-10-26-11-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
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Reactome pathway
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334927
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-7-10-26-11-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334927
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-7-10-26-11-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334928
(1-({2,6-Difluoro-4-[3-(trifluoromethyl)-6,7-dihydr...)Show SMILES Fc1cc(cc(F)c1CN1CCCC1=O)-n1nc(c2COCCc12)C(F)(F)F Show InChI InChI=1S/C18H16F5N3O2/c19-13-6-10(7-14(20)11(13)8-25-4-1-2-16(25)27)26-15-3-5-28-9-12(15)17(24-26)18(21,22)23/h6-7H,1-5,8-9H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334933
(1-({4-[6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrah...)Show SMILES CN1CCc2c(C1)n(nc2C(F)(F)F)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C19H21F3N4O/c1-24-10-8-15-16(12-24)26(23-18(15)19(20,21)22)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334934
(1-({4-[3-(Trifluoromethyl)-4,7-dihydropyrano[3,4-c...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-7-9-26-11-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334934
(1-({4-[3-(Trifluoromethyl)-4,7-dihydropyrano[3,4-c...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-7-9-26-11-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334930
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-11-26-10-7-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334927
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-7-10-26-11-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334928
(1-({2,6-Difluoro-4-[3-(trifluoromethyl)-6,7-dihydr...)Show SMILES Fc1cc(cc(F)c1CN1CCCC1=O)-n1nc(c2COCCc12)C(F)(F)F Show InChI InChI=1S/C18H16F5N3O2/c19-13-6-10(7-14(20)11(13)8-25-4-1-2-16(25)27)26-15-3-5-28-9-12(15)17(24-26)18(21,22)23/h6-7H,1-5,8-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334933
(1-({4-[6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrah...)Show SMILES CN1CCc2c(C1)n(nc2C(F)(F)F)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C19H21F3N4O/c1-24-10-8-15-16(12-24)26(23-18(15)19(20,21)22)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334928
(1-({2,6-Difluoro-4-[3-(trifluoromethyl)-6,7-dihydr...)Show SMILES Fc1cc(cc(F)c1CN1CCCC1=O)-n1nc(c2COCCc12)C(F)(F)F Show InChI InChI=1S/C18H16F5N3O2/c19-13-6-10(7-14(20)11(13)8-25-4-1-2-16(25)27)26-15-3-5-28-9-12(15)17(24-26)18(21,22)23/h6-7H,1-5,8-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334928
(1-({2,6-Difluoro-4-[3-(trifluoromethyl)-6,7-dihydr...)Show SMILES Fc1cc(cc(F)c1CN1CCCC1=O)-n1nc(c2COCCc12)C(F)(F)F Show InChI InChI=1S/C18H16F5N3O2/c19-13-6-10(7-14(20)11(13)8-25-4-1-2-16(25)27)26-15-3-5-28-9-12(15)17(24-26)18(21,22)23/h6-7H,1-5,8-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334934
(1-({4-[3-(Trifluoromethyl)-4,7-dihydropyrano[3,4-c...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-7-9-26-11-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334934
(1-({4-[3-(Trifluoromethyl)-4,7-dihydropyrano[3,4-c...)Show SMILES FC(F)(F)c1nn(c2COCCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-7-9-26-11-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334930
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-11-26-10-7-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334933
(1-({4-[6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrah...)Show SMILES CN1CCc2c(C1)n(nc2C(F)(F)F)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C19H21F3N4O/c1-24-10-8-15-16(12-24)26(23-18(15)19(20,21)22)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334930
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-11-26-10-7-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334930
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-11-26-10-7-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50334933
(1-({4-[6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrah...)Show SMILES CN1CCc2c(C1)n(nc2C(F)(F)F)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C19H21F3N4O/c1-24-10-8-15-16(12-24)26(23-18(15)19(20,21)22)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334930
(1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluorom...)Show SMILES FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-11-26-10-7-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334928
(1-({2,6-Difluoro-4-[3-(trifluoromethyl)-6,7-dihydr...)Show SMILES Fc1cc(cc(F)c1CN1CCCC1=O)-n1nc(c2COCCc12)C(F)(F)F Show InChI InChI=1S/C18H16F5N3O2/c19-13-6-10(7-14(20)11(13)8-25-4-1-2-16(25)27)26-15-3-5-28-9-12(15)17(24-26)18(21,22)23/h6-7H,1-5,8-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 by fluorescence assay |
J Med Chem 54: 78-94 (2011)
Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG |
More data for this
Ligand-Target Pair | |
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