BDBM50438945 CHEMBL2420620

SMILES: Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1

InChI Key: InChIKey=DPYKXHOJAOLOOC-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50438945   

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
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50438945 (CHEMBL2420620) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-15-8-16(23)10-18(9-15)30(28,29)17-3-1-13(2-4-17)11-25-21(27)20-7-14-12-24-6-5-19(14)26-20/h1-10,12,26H,11H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged NAMPT (unknown origin) expressed in Escherichia coli BL21 using nicotinamide as substrate preincubated for 15 min...				J Med Chem 56: 6413-33 (2013) Article DOI: 10.1021/jm4008664 BindingDB Entry DOI: 10.7270/Q2H996MB
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50438945 (CHEMBL2420620) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-15-8-16(23)10-18(9-15)30(28,29)17-3-1-13(2-4-17)11-25-21(27)20-7-14-12-24-6-5-19(14)26-20/h1-10,12,26H,11H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure...				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50438945 (CHEMBL2420620) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-15-8-16(23)10-18(9-15)30(28,29)17-3-1-13(2-4-17)11-25-21(27)20-7-14-12-24-6-5-19(14)26-20/h1-10,12,26H,11H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50438945 (CHEMBL2420620) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-15-8-16(23)10-18(9-15)30(28,29)17-3-1-13(2-4-17)11-25-21(27)20-7-14-12-24-6-5-19(14)26-20/h1-10,12,26H,11H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50438945 (CHEMBL2420620) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-15-8-16(23)10-18(9-15)30(28,29)17-3-1-13(2-4-17)11-25-21(27)20-7-14-12-24-6-5-19(14)26-20/h1-10,12,26H,11H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair