Found 26 hits with Last Name = 'brault' and Initial = 'm' 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)) | BDBM50175297
(CHEMBL3810245)Show SMILES CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175302
(CHEMBL3808401)Show SMILES CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3S/c1-14(2)10-23(35,15-4-3-5-16(8-15)24(25,26)27)22-28-11-19(31-22)32-7-6-17(9-20(32)33)30-21(34)18-12-36-13-29-18/h3-9,11-14,35H,10H2,1-2H3,(H,28,31)(H,30,34) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175303
(CHEMBL3810042)Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175303
(CHEMBL3810042)Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175304
(CHEMBL3808842)Show SMILES CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H16F3N5O2S/c1-13(14-3-2-4-15(7-14)21(22,23)24)28-9-18(25-11-28)29-6-5-16(8-19(29)30)27-20(31)17-10-32-12-26-17/h2-13H,1H3,(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175296
(CHEMBL3809896)Show SMILES FC(F)(F)c1cccc(Cn2cnc(c2)-n2ccc(NC(=O)c3cscn3)cc2=O)c1 Show InChI InChI=1S/C20H14F3N5O2S/c21-20(22,23)14-3-1-2-13(6-14)8-27-9-17(24-11-27)28-5-4-15(7-18(28)29)26-19(30)16-10-31-12-25-16/h1-7,9-12H,8H2,(H,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175296
(CHEMBL3809896)Show SMILES FC(F)(F)c1cccc(Cn2cnc(c2)-n2ccc(NC(=O)c3cscn3)cc2=O)c1 Show InChI InChI=1S/C20H14F3N5O2S/c21-20(22,23)14-3-1-2-13(6-14)8-27-9-17(24-11-27)28-5-4-15(7-18(28)29)26-19(30)16-10-31-12-25-16/h1-7,9-12H,8H2,(H,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175304
(CHEMBL3808842)Show SMILES CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H16F3N5O2S/c1-13(14-3-2-4-15(7-14)21(22,23)24)28-9-18(25-11-28)29-6-5-16(8-19(29)30)27-20(31)17-10-32-12-26-17/h2-13H,1H3,(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175299
(CHEMBL3808805)Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31) | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175298
(CHEMBL3809890)Show SMILES OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H14F3N5O3S/c21-20(22,23)12-3-1-2-11(6-12)17(30)18-24-8-15(27-18)28-5-4-13(7-16(28)29)26-19(31)14-9-32-10-25-14/h1-10,17,30H,(H,24,27)(H,26,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175299
(CHEMBL3808805)Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175298
(CHEMBL3809890)Show SMILES OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H14F3N5O3S/c21-20(22,23)12-3-1-2-11(6-12)17(30)18-24-8-15(27-18)28-5-4-13(7-16(28)29)26-19(31)14-9-32-10-25-14/h1-10,17,30H,(H,24,27)(H,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175300
(CHEMBL3810414)Show SMILES Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-4-3-5-14(8-13)21(2,29)20-22-10-17(25-20)26-7-6-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175301
(CHEMBL3809367)Show SMILES Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-3-5-14(6-4-13)21(2,29)20-22-10-17(25-20)26-8-7-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50175299
(CHEMBL3808805)Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175301
(CHEMBL3809367)Show SMILES Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-3-5-14(6-4-13)21(2,29)20-22-10-17(25-20)26-8-7-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175300
(CHEMBL3810414)Show SMILES Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-4-3-5-14(8-13)21(2,29)20-22-10-17(25-20)26-7-6-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175295
(CHEMBL3808895)Show InChI InChI=1S/C19H16N2O4/c1-24-16-5-2-4-13(12-16)18(22)20-14-7-9-15(10-8-14)21-19(23)17-6-3-11-25-17/h2-12H,1H3,(H,20,22)(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175297
(CHEMBL3810245)Show SMILES CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175298
(CHEMBL3809890)Show SMILES OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H14F3N5O3S/c21-20(22,23)12-3-1-2-11(6-12)17(30)18-24-8-15(27-18)28-5-4-13(7-16(28)29)26-19(31)14-9-32-10-25-14/h1-10,17,30H,(H,24,27)(H,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175299
(CHEMBL3808805)Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50175295
(CHEMBL3808895)Show InChI InChI=1S/C19H16N2O4/c1-24-16-5-2-4-13(12-16)18(22)20-14-7-9-15(10-8-14)21-19(23)17-6-3-11-25-17/h2-12H,1H3,(H,20,22)(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175303
(CHEMBL3810042)Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175300
(CHEMBL3810414)Show SMILES Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-4-3-5-14(8-13)21(2,29)20-22-10-17(25-20)26-7-6-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175301
(CHEMBL3809367)Show SMILES Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-3-5-14(6-4-13)21(2,29)20-22-10-17(25-20)26-8-7-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175302
(CHEMBL3808401)Show SMILES CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3S/c1-14(2)10-23(35,15-4-3-5-16(8-15)24(25,26)27)22-28-11-19(31-22)32-7-6-17(9-20(32)33)30-21(34)18-12-36-13-29-18/h3-9,11-14,35H,10H2,1-2H3,(H,28,31)(H,30,34) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |