BDBM50448642 CHEMBL3127515

SMILES: O=S(=O)(N1CCC(CC1)N1CCCC1)c1ccc(CNC2=Nc3ccncc3S(=O)(=O)N2)cc1

InChI Key: InChIKey=BCPZRYGPLBZKEZ-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 = 50448642   

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))	BDBM50448642 (CHEMBL3127515) Show SMILES O=S(=O)(N1CCC(CC1)N1CCCC1)c1ccc(CNC2=Nc3ccncc3S(=O)(=O)N2)cc1 |t:22| Show InChI InChI=1S/C22H28N6O4S2/c29-33(30)21-16-23-10-7-20(21)25-22(26-33)24-15-17-3-5-19(6-4-17)34(31,32)28-13-8-18(9-14-28)27-11-1-2-12-27/h3-7,10,16,18H,1-2,8-9,11-15H2,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	62	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				3D Structure (crystal)