Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50010076 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)) | 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
| Purchase
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 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)) | 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)) | 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 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)) | 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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CHEMBL PC cid PC sid UniChem
Similars
| 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 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 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 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)) | 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)) | 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 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 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090681
(1N-butyl-2-[4-(1-ethynyl)phenylsulfonyl]urea | CHE...)Show InChI InChI=1S/C13H16N2O3S/c1-3-5-10-14-13(16)15-19(17,18)12-8-6-11(4-2)7-9-12/h2,6-9H,3,5,10H2,1H3,(H2,14,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.80E+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 2C9
(Homo sapiens (Human)) | BDBM50090678
(5-(4-Ethynyl-phenyl)-5-phenyl-imidazolidine-2,4-di...)Show InChI InChI=1S/C17H12N2O2/c1-2-12-8-10-14(11-9-12)17(13-6-4-3-5-7-13)15(20)18-16(21)19-17/h1,3-11H,(H2,18,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.80E+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 2C9
(Homo sapiens (Human)) | BDBM50408927
(CHEMBL2115262)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
| 2.00E+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)) | BDBM50408942
(CHEMBL2115260)Show SMILES COc1oc2ccccc2c(=O)c1[C@@H](CC(C)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(22)15-10-6-7-11-17(15)24-20(18)23-2/h3-11,16H,12H2,1-2H3/t16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.10E+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 2C9
(Homo sapiens (Human)) | BDBM50090680
(1N-benzyl-2-[4-(1-ethynyl)phenylsulfonyl]urea | CH...)Show InChI InChI=1S/C16H14N2O3S/c1-2-13-8-10-15(11-9-13)22(20,21)18-16(19)17-12-14-6-4-3-5-7-14/h1,3-11H,12H2,(H2,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.50E+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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408936
(CHEMBL2115263)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?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.50E+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 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)) | BDBM50408928
(CHEMBL2114275)Show SMILES COc1oc2ccccc2c(=O)c1[C@H](CC(C)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(22)15-10-6-7-11-17(15)24-20(18)23-2/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
| 2.90E+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 for human 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)) | BDBM50090676
((+-)-2-(p-(2-thenoyl)phenyl)propionic acid | 2-(4-...)Show InChI InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(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 PDB UniChem
Patents
| DrugBank PubMed
| 4.50E+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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090672
(1N-isobutyl-2-[4-(1-ethynyl)phenylsulfonyl]urea | ...)Show InChI InChI=1S/C13H16N2O3S/c1-4-11-5-7-12(8-6-11)19(17,18)15-13(16)14-9-10(2)3/h1,5-8,10H,9H2,2-3H3,(H2,14,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.80E+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 2C9
(Homo sapiens (Human)) | BDBM50009859
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PubMed
| 5.00E+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 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)) | BDBM50027886
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank PubMed
| 7.00E+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 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 | |