Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase [1-303]' and Ligand = 'BDBM65495'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase [1-303] (Schistosoma mansoni)	BDBM65495 (SmNACE inhibitor, 1) Show SMILES Cc1occc1C(=O)N\N=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H12N2O4/c1-8-10(4-5-19-8)13(18)15-14-7-9-2-3-11(16)12(17)6-9/h2-7,16-17H,1H3,(H,15,18)/b14-7+	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+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
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