BDBM50438987 CHEMBL2420670

SMILES: O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cc2cnccc2[nH]1

InChI Key: InChIKey=AOQJDTPGTHTUAQ-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 = 50438987   

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))	BDBM50438987 (CHEMBL2420670) Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cc2cnccc2[nH]1 Show InChI InChI=1S/C20H22N4O3S/c25-20(19-12-16-14-21-9-8-18(16)23-19)22-13-15-4-6-17(7-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14,23H,1-3,10-11,13H2,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9	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				3D Structure (crystal)