BDBM112625 GNE-643

SMILES: Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccn3ccnc3c2)cc1

InChI Key: InChIKey=YECCIJSXGJHBSG-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 112625   

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))	BDBM112625 (GNE-643) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccn3ccnc3c2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-16-10-17(23)12-19(11-16)30(28,29)18-3-1-14(2-4-18)13-25-21(27)15-5-7-26-8-6-24-20(26)9-15/h1-12H,13H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	25
Genentech, Inc. 1 DNA Way, South San Francisco, California 94080 (USA).					Assay Description The reaction was carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well plates. NAMPT protein was added to 1 B...				Chembiochem 15: 1121-30 (2014) Article DOI: 10.1002/cbic.201402023 BindingDB Entry DOI: 10.7270/Q2X065QR
					More data for this Ligand-Target Pair				3D Structure (crystal)