BDBM50086416 CHEMBL3426074

SMILES: Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1

InChI Key: InChIKey=DZNPBSFQHHTVEI-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 = 50086416   

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
Lymphocyte differentiation antigen CD38 (Homo sapiens (Human))	BDBM50086416 (CHEMBL3426074) Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1 Show InChI InChI=1S/C17H11FN4S/c18-12-2-4-13(5-3-12)22-17-14-7-11(16-8-19-10-23-16)1-6-15(14)20-9-21-17/h1-10H,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+3	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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Mus musculus)	BDBM50086416 (CHEMBL3426074) Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1 Show InChI InChI=1S/C17H11FN4S/c18-12-2-4-13(5-3-12)22-17-14-7-11(16-8-19-10-23-16)1-6-15(14)20-9-21-17/h1-10H,(H,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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