Found 133 hits with Last Name = 'rettie' and Initial = 'a' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50158460
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50398447
(Aromasin | EXEMESTANE)Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |r,c:13,t:9| Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of human placental microsome aromatase using [3H]androstenedione as substrate preincubated for 32 mins in presence of NADPH followed by su... |
J Med Chem 63: 4824-4836 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00101 BindingDB Entry DOI: 10.7270/Q2HT2SS4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158458
((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphe...)Show InChI InChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50158458
((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphe...)Show InChI InChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408930
(CHEMBL2115266)Show SMILES C[C@@H](O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408933
(CHEMBL2115265)Show InChI InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(20)15-11-7-8-12-16(15)22-19(17)21-2/h4-12,14H,3H2,1-2H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090669
(4-Methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfo...)Show InChI InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
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
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| DrugBank PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158464
((2-ethylbenzofuran-3-yl)(4-methoxy-3,5-dimethylphe...)Show InChI InChI=1S/C20H20O3/c1-5-16-18(15-8-6-7-9-17(15)23-16)19(21)14-10-12(2)20(22-4)13(3)11-14/h6-11H,5H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158470
(2,6-dibromo-4-((2-ethylbenzofuran-3-yl)(hydroxy)me...)Show InChI InChI=1S/C17H14Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,16,20-21H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158463
((3,5-dibromo-4-methoxyphenyl)(2-ethylbenzofuran-3-...)Show InChI InChI=1S/C18H14Br2O3/c1-3-14-16(11-6-4-5-7-15(11)23-14)17(21)10-8-12(19)18(22-2)13(20)9-10/h4-9H,3H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408931
(CHEMBL2114286)Show SMILES C[C@H](O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid UniChem
Similars
| PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090673
(4-Azido-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)Show SMILES [N-]=[N+]=Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI InChI=1S/C15H12N6O2S/c16-20-18-12-6-8-14(9-7-12)24(22,23)19-15-10-11-17-21(15)13-4-2-1-3-5-13/h1-11,19H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408935
(CHEMBL2079628)Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408935
(CHEMBL2079628)Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem
Similars
| DrugBank PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090663
(7-Ethynyl-4-hydroxy-3-(2-oxo-1-phenyl-propyl)-chro...)Show InChI InChI=1S/C20H14O4/c1-3-13-9-10-15-16(11-13)24-20(23)18(19(15)22)17(12(2)21)14-7-5-4-6-8-14/h1,4-11,17,22H,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408939
(CHEMBL2114277)Show SMILES CO[C@@]1(C)C[C@H](c2ccccc2)c2c(O1)c1ccccc1oc2=O Show InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3/t15-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090664
(6-Ethynyl-4-hydroxy-3-(2-oxo-1-phenyl-propyl)-chro...)Show InChI InChI=1S/C20H14O4/c1-3-13-9-10-16-15(11-13)19(22)18(20(23)24-16)17(12(2)21)14-7-5-4-6-8-14/h1,4-11,17,22H,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408939
(CHEMBL2114277)Show SMILES CO[C@@]1(C)C[C@H](c2ccccc2)c2c(O1)c1ccccc1oc2=O Show InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3/t15-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158467
(2-(3,5-dibromo-4-hydroxyphenyl)-1-(2-ethylbenzofur...)Show InChI InChI=1S/C18H14Br2O3/c1-2-15-17(11-5-3-4-6-16(11)23-15)14(21)9-10-7-12(19)18(22)13(20)8-10/h3-8,22H,2,9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090679
(2-(2-(2,5-dichlorophenylamino)phenyl)acetic acid |...)Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-6-11(16)13(8-10)17-12-4-2-1-3-9(12)7-14(18)19/h1-6,8,17H,7H2,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090667
(CHEMBL96214 | N-(2-Phenyl-2H-pyrazol-3-yl)-benzene...)Show InChI InChI=1S/C15H13N3O2S/c19-21(20,14-9-5-2-6-10-14)17-15-11-12-16-18(15)13-7-3-1-4-8-13/h1-12,17H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 4Z1
(Homo sapiens) | BDBM50527963
(CHEMBL4557940)Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate prein... |
J Med Chem 63: 4824-4836 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00101 BindingDB Entry DOI: 10.7270/Q2HT2SS4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090670
(4-Acetyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfo...)Show InChI InChI=1S/C17H15N3O3S/c1-13(21)14-7-9-16(10-8-14)24(22,23)19-17-11-12-18-20(17)15-5-3-2-4-6-15/h2-12,19H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158469
((3,5-dibromo-4-hydroxyphenyl)(2-methylbenzofuran-3...)Show InChI InChI=1S/C16H10Br2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158457
((4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)Show InChI InChI=1S/C16H12O3/c1-10-15(13-4-2-3-5-14(13)19-10)16(18)11-6-8-12(17)9-7-11/h2-9,17H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
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Similars
| Article PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090682
(6-azido-3-(6-azido-4-hydroxy-2-oxo-2H-3-chromenylm...)Show SMILES Oc1c(Cc2c(O)c3cc(ccc3oc2=O)N=[N+]=[N-])c(=O)oc2ccc(cc12)N=[N+]=[N-] Show InChI InChI=1S/C19H10N6O6/c20-24-22-8-1-3-14-10(5-8)16(26)12(18(28)30-14)7-13-17(27)11-6-9(23-25-21)2-4-15(11)31-19(13)29/h1-6,26-27H,7H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408940
(CHEMBL2115268)Show SMILES C[C@H](O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090660
(4-Ethynyl-N-(5-methyl-isoxazol-3-yl)-benzenesulfon...)Show InChI InChI=1S/C12H10N2O3S/c1-3-10-4-6-11(7-5-10)18(15,16)14-12-8-9(2)17-13-12/h1,4-8H,2H3,(H,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408941
(CHEMBL2114283)Show SMILES C[C@@H](O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158462
((4-(dimethylamino)phenyl)(2-ethylbenzofuran-3-yl)m...)Show InChI InChI=1S/C19H19NO2/c1-4-16-18(15-7-5-6-8-17(15)22-16)19(21)13-9-11-14(12-10-13)20(2)3/h5-12H,4H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158460
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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Similars
| Article PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158459
((3-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)Show InChI InChI=1S/C16H12O3/c1-10-15(13-7-2-3-8-14(13)19-10)16(18)11-5-4-6-12(17)9-11/h2-9,17H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158466
((4-methoxyphenyl)(2-methylbenzofuran-3-yl)methanon...)Show InChI InChI=1S/C17H14O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090671
(4-Hydroxy-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulf...)Show InChI InChI=1S/C15H13N3O3S/c19-13-6-8-14(9-7-13)22(20,21)17-15-10-11-16-18(15)12-4-2-1-3-5-12/h1-11,17,19H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408929
(CHEMBL2115267)Show InChI InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(21-2)15-11-7-8-12-16(15)22-19(17)20/h4-12,14H,3H2,1-2H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50139802
((2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tet...)Show SMILES CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(O1)c1ccccc1oc2=O Show InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3/t15-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090675
(1N-phenyl-2-[4-(1-ethynyl)phenylsulfonyl]urea | CH...)Show InChI InChI=1S/C15H12N2O3S/c1-2-12-8-10-14(11-9-12)21(19,20)17-15(18)16-13-6-4-3-5-7-13/h1,3-11H,(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408934
(CHEMBL2114278)Show SMILES CC1(O)C[C@H](c2ccccc2)c2c(O1)c1ccccc1oc2=O |r| Show InChI InChI=1S/C19H16O4/c1-19(21)11-14(12-7-3-2-4-8-12)16-17(23-19)13-9-5-6-10-15(13)22-18(16)20/h2-10,14,21H,11H2,1H3/t14-,19?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158465
((4-hydroxy-3,5-diiodophenyl)(2-methylbenzofuran-3-...)Show InChI InChI=1S/C16H10I2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408932
(CHEMBL2114284)Show SMILES COc1c([C@H](CC(C)=O)c2ccccc2)c(=O)oc2ccccc12 |r| Show InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,16H,12H2,1-2H3/t16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408932
(CHEMBL2114284)Show SMILES COc1c([C@H](CC(C)=O)c2ccccc2)c(=O)oc2ccccc12 |r| Show InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,16H,12H2,1-2H3/t16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50003655
(Phenytoin)Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| DrugBank PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090674
(CHEMBL267744 | Ticrynafen | Tienilic Acid | [2,3-D...)Show InChI InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
| PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158461
((2,6-dichloropyridin-4-yl)(2-ethylbenzofuran-3-yl)...)Show InChI InChI=1S/C16H11Cl2NO2/c1-2-11-15(10-5-3-4-6-12(10)21-11)16(20)9-7-13(17)19-14(18)8-9/h3-8H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408938
(CHEMBL2114285)Show InChI InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(21-2)15-11-7-8-12-16(15)22-19(17)20/h4-12,14H,3H2,1-2H3/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158468
(CHEMBL390613 | cyclohexyl(2-methylbenzofuran-3-yl)...)Show InChI InChI=1S/C16H18O2/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408937
(CHEMBL2114281)Show InChI InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(20)15-11-7-8-12-16(15)22-19(17)21-2/h4-12,14H,3H2,1-2H3/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090668
(3-(2,5-Dimethyl-phenoxy)-2,2-dimethyl-propionic ac...)Show InChI InChI=1S/C13H18O3/c1-9-5-6-10(2)11(7-9)16-8-13(3,4)12(14)15/h5-7H,8H2,1-4H3,(H,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |