BDBM50447561 CHEMBL3105156

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1

InChI Key: InChIKey=NGQPRVWTFNBUHA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50447561   

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))	BDBM50447561 (CHEMBL3105156) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His6-tagged human NAMPT expressed in Escherichia coli Rosetta (DE3) cells using PRPP/NAM as substrate/cofactor p...				Bioorg Med Chem Lett 24: 954-62 (2014) Article DOI: 10.1016/j.bmcl.2013.12.062 BindingDB Entry DOI: 10.7270/Q2RV0Q50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50447561 (CHEMBL3105156) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as reduction in NAD level after 48 hrs by LC-MS/MS analysis				Bioorg Med Chem Lett 24: 954-62 (2014) Article DOI: 10.1016/j.bmcl.2013.12.062 BindingDB Entry DOI: 10.7270/Q2RV0Q50
					More data for this Ligand-Target Pair				3D Structure (crystal)