null

SMILES: FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1

InChI Key: InChIKey=IFEXCZMSTXWJSK-VQTJNVASSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50448616   

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 2C9 (Homo sapiens (Human))	BDBM50448616 (CHEMBL3127501) Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O4S/c23-22(24,25)31-16-4-1-5-18(11-16)32(29,30)17-8-6-15(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Reversible inhibition of CYP2C9 in human liver microsomes using (S)- warfarin as substrate by LC-MS/MS analysis				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50448616 (CHEMBL3127501) Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O4S/c23-22(24,25)31-16-4-1-5-18(11-16)32(29,30)17-8-6-15(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Reversible inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate by LC-MS/MS analysis				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448616 (CHEMBL3127501) Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O4S/c23-22(24,25)31-16-4-1-5-18(11-16)32(29,30)17-8-6-15(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1	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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50448616 (CHEMBL3127501) Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O4S/c23-22(24,25)31-16-4-1-5-18(11-16)32(29,30)17-8-6-15(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50448616 (CHEMBL3127501) Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O4S/c23-22(24,25)31-16-4-1-5-18(11-16)32(29,30)17-8-6-15(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair