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 = 'BDBM65500'   

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)	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	2.20E+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
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