Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1' and Ligand = 'BDBM50111218'   

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)	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of mouse CD38				J Med Chem 58: 7021-56 (2015) Article DOI: 10.1021/acs.jmedchem.5b00992 BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...				Bioorg Med Chem 26: 2107-2150 (2018) Article DOI: 10.1016/j.bmc.2018.03.021 BindingDB Entry DOI: 10.7270/Q2MW2KS8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay				J Med Chem 58: 7021-56 (2015) Article DOI: 10.1021/acs.jmedchem.5b00992 BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair