Found 22 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 |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of ALK (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50443365
(CHEMBL3086078)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F Show InChI InChI=1S/C20H19F2N3O6S/c1-10-12-8-14(21)17(31-20(27)25(2)3)9-16(12)30-19(26)13(10)7-11-5-4-6-15(18(11)22)24-32(23,28)29/h4-6,8-9,24H,7H2,1-3H3,(H2,23,28,29) | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 30 mins followed by NADPH and substrate addition measur... |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50443365
(CHEMBL3086078)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F Show InChI InChI=1S/C20H19F2N3O6S/c1-10-12-8-14(21)17(31-20(27)25(2)3)9-16(12)30-19(26)13(10)7-11-5-4-6-15(18(11)22)24-32(23,28)29/h4-6,8-9,24H,7H2,1-3H3,(H2,23,28,29) | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 30 mins post NADPH addition followed by substrate addition... |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50443365
(CHEMBL3086078)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F Show InChI InChI=1S/C20H19F2N3O6S/c1-10-12-8-14(21)17(31-20(27)25(2)3)9-16(12)30-19(26)13(10)7-11-5-4-6-15(18(11)22)24-32(23,28)29/h4-6,8-9,24H,7H2,1-3H3,(H2,23,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes incubated for 30 mins post NADPH addition measured after 5 mins by LC/MS/MS analysis |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443365
(CHEMBL3086078)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F Show InChI InChI=1S/C20H19F2N3O6S/c1-10-12-8-14(21)17(31-20(27)25(2)3)9-16(12)30-19(26)13(10)7-11-5-4-6-15(18(11)22)24-32(23,28)29/h4-6,8-9,24H,7H2,1-3H3,(H2,23,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes preincubated for 30 mins followed by NADPH addition measured after 5 mins by LC/MS/MS analysis |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of ABL (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Macrophage-stimulating protein receptor
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of RON (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of InsR (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of MET (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of FLT3 (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor UFO
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of AXL (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CDK-2 (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of DDR1 (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CDK-1 (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of BRK (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of IGF1R (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50443365
(CHEMBL3086078)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F Show InChI InChI=1S/C20H19F2N3O6S/c1-10-12-8-14(21)17(31-20(27)25(2)3)9-16(12)30-19(26)13(10)7-11-5-4-6-15(18(11)22)24-32(23,28)29/h4-6,8-9,24H,7H2,1-3H3,(H2,23,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes preincubated for 30 mins followed by NADPH addition measured after 5 mins by LC/MS/MS analysis |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50443365
(CHEMBL3086078)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F Show InChI InChI=1S/C20H19F2N3O6S/c1-10-12-8-14(21)17(31-20(27)25(2)3)9-16(12)30-19(26)13(10)7-11-5-4-6-15(18(11)22)24-32(23,28)29/h4-6,8-9,24H,7H2,1-3H3,(H2,23,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes incubated for 30 mins post NADPH addition measured after 5 mins by LC/MS/MS analysis |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443365
(CHEMBL3086078)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F Show InChI InChI=1S/C20H19F2N3O6S/c1-10-12-8-14(21)17(31-20(27)25(2)3)9-16(12)30-19(26)13(10)7-11-5-4-6-15(18(11)22)24-32(23,28)29/h4-6,8-9,24H,7H2,1-3H3,(H2,23,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes incubated for 30 mins post NADPH addition measured after 5 mins by LC/MS/MS analysis |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50443365
(CHEMBL3086078)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F Show InChI InChI=1S/C20H19F2N3O6S/c1-10-12-8-14(21)17(31-20(27)25(2)3)9-16(12)30-19(26)13(10)7-11-5-4-6-15(18(11)22)24-32(23,28)29/h4-6,8-9,24H,7H2,1-3H3,(H2,23,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes preincubated for 30 mins followed by NADPH addition measured after 5 mins by LC/MS/MS analysis |
Bioorg Med Chem Lett 23: 6223-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.001 BindingDB Entry DOI: 10.7270/Q2959K0K |
More data for this Ligand-Target Pair | |