BDBM50438986 CHEMBL2419503

SMILES: O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cc2cnccc2[nH]1

InChI Key: InChIKey=LGQSNALVWIMFPP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50438986   

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))	BDBM50438986 (CHEMBL2419503) Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cc2cnccc2[nH]1 Show InChI InChI=1S/C21H17N3O3S/c25-21(20-12-16-14-22-11-10-19(16)24-20)23-13-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h1-12,14,24H,13H2,(H,23,25)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Inhibition of human NAMPT using NAM/PRPP as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by mass spectrometric ...				Bioorg Med Chem Lett 23: 4875-85 (2013) Article DOI: 10.1016/j.bmcl.2013.06.090 BindingDB Entry DOI: 10.7270/Q25T3MWP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50438986 (CHEMBL2419503) Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cc2cnccc2[nH]1 Show InChI InChI=1S/C21H17N3O3S/c25-21(20-12-16-14-22-11-10-19(16)24-20)23-13-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h1-12,14,24H,13H2,(H,23,25)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Nampt (unknown origin) using nicotinamide as substrate preincubated for 15 mins measured after 30 mins by mass spectrometry analysis				Bioorg Med Chem Lett 24: 337-43 (2013) Article DOI: 10.1016/j.bmcl.2013.11.006 BindingDB Entry DOI: 10.7270/Q2CJ8FZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50438986 (CHEMBL2419503) Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cc2cnccc2[nH]1 Show InChI InChI=1S/C21H17N3O3S/c25-21(20-12-16-14-22-11-10-19(16)24-20)23-13-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h1-12,14,24H,13H2,(H,23,25)	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	29	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)