null

SMILES: COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1cc(F)c[nH]c1=O

InChI Key: InChIKey=GKIDVBFFLSYPRO-RMKNXTFCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50441245   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441245 (CHEMBL2431365) Show SMILES COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1cc(F)c[nH]c1=O Show InChI InChI=1S/C25H27FN2O4S/c1-25(2,3)22-13-18(21-14-19(26)15-27-24(21)29)12-17(23(22)32-4)9-6-16-7-10-20(11-8-16)28-33(5,30)31/h6-15,28H,1-5H3,(H,27,29)/b9-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 56: 8163-82 (2013) Article DOI: 10.1021/jm401266k BindingDB Entry DOI: 10.7270/Q2WQ0574
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441245 (CHEMBL2431365) Show SMILES COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1cc(F)c[nH]c1=O Show InChI InChI=1S/C25H27FN2O4S/c1-25(2,3)22-13-18(21-14-19(26)15-27-24(21)29)12-17(23(22)32-4)9-6-16-7-10-20(11-8-16)28-33(5,30)31/h6-15,28H,1-5H3,(H,27,29)/b9-6+	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 56: 8163-82 (2013) Article DOI: 10.1021/jm401266k BindingDB Entry DOI: 10.7270/Q2WQ0574
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50441245 (CHEMBL2431365) Show SMILES COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1cc(F)c[nH]c1=O Show InChI InChI=1S/C25H27FN2O4S/c1-25(2,3)22-13-18(21-14-19(26)15-27-24(21)29)12-17(23(22)32-4)9-6-16-7-10-20(11-8-16)28-33(5,30)31/h6-15,28H,1-5H3,(H,27,29)/b9-6+	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 56: 8163-82 (2013) Article DOI: 10.1021/jm401266k BindingDB Entry DOI: 10.7270/Q2WQ0574
					More data for this Ligand-Target Pair