Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1' and Ligand = 'BDBM50086405'   

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 (Mus musculus)	BDBM50086405 (CHEMBL3426085) Show SMILES N(c1ccc(cc1)-c1cnco1)c1ncnc2ccc(cc12)-c1cncs1 Show InChI InChI=1S/C20H13N5OS/c1-4-15(5-2-13(1)18-8-21-11-26-18)25-20-16-7-14(19-9-22-12-27-19)3-6-17(16)23-10-24-20/h1-12H,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis				J Med Chem 58: 3548-71 (2015) Article DOI: 10.1021/jm502009h BindingDB Entry DOI: 10.7270/Q2NV9M00
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50086405 (CHEMBL3426085) Show SMILES N(c1ccc(cc1)-c1cnco1)c1ncnc2ccc(cc12)-c1cncs1 Show InChI InChI=1S/C20H13N5OS/c1-4-15(5-2-13(1)18-8-21-11-26-18)25-20-16-7-14(19-9-22-12-27-19)3-6-17(16)23-10-24-20/h1-12H,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay				J Med Chem 58: 3548-71 (2015) Article DOI: 10.1021/jm502009h BindingDB Entry DOI: 10.7270/Q2NV9M00
					More data for this Ligand-Target Pair