BDBM65500 SmNACE inhibitor, 3

SMILES: O=C(Nc1nc(=O)c2ccccc2s1)c1ccco1

InChI Key: InChIKey=NWWYVZZONFRQBA-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 = 65500   

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
C-His6-SmNACE (Schistosoma mansoni)	BDBM65500 (SmNACE inhibitor, 3) Show SMILES O=C(Nc1nc(=O)c2ccccc2s1)c1ccco1 Show InChI InChI=1S/C13H8N2O3S/c16-11-8-4-1-2-6-10(8)19-13(14-11)15-12(17)9-5-3-7-18-9/h1-7H,(H,14,15,16,17)	MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
SmNACE (Schistosoma mansoni)	BDBM65500 (SmNACE inhibitor, 3) Show SMILES O=C(Nc1nc(=O)c2ccccc2s1)c1ccco1 Show InChI InChI=1S/C13H8N2O3S/c16-11-8-4-1-2-6-10(8)19-13(14-11)15-12(17)9-5-3-7-18-9/h1-7H,(H,14,15,16,17)	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair