BDBM50241479 CHEMBL4081313

SMILES: Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2nc3ccccc3[nH]2)cc1

InChI Key: InChIKey=GQRQYGYKBHIQTP-UHFFFAOYSA-N

Data: 2 IC50

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 = 50241479   

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))	BDBM50241479 (CHEMBL4081313) Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H20N6OS/c23-16-5-1-2-6-17(16)28-21(29)14-9-11-15(12-10-14)25-22(30)24-13-20-26-18-7-3-4-8-19(18)27-20/h1-12H,13,23H2,(H,26,27)(H,28,29)(H2,24,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant NAMPT using NAM as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by fluores...				J Med Chem 60: 7965-7983 (2017) Article DOI: 10.1021/acs.jmedchem.7b00467 BindingDB Entry DOI: 10.7270/Q2VM4FDV
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50241479 (CHEMBL4081313) Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C22H20N6OS/c23-16-5-1-2-6-17(16)28-21(29)14-9-11-15(12-10-14)25-22(30)24-13-20-26-18-7-3-4-8-19(18)27-20/h1-12H,13,23H2,(H,26,27)(H,28,29)(H2,24,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 (1 to 482 residues) expressed in Baculovirus using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins ...				J Med Chem 60: 7965-7983 (2017) Article DOI: 10.1021/acs.jmedchem.7b00467 BindingDB Entry DOI: 10.7270/Q2VM4FDV
					More data for this Ligand-Target Pair