BDBM50086401 CHEMBL3426094

SMILES: C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1

InChI Key: InChIKey=MFSSHCDVFJPDHJ-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 = 50086401   

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))	BDBM50086401 (CHEMBL3426094) Show SMILES C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1 Show InChI InChI=1S/C17H18N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h6-11,13H,1-5H2,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	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)	BDBM50086401 (CHEMBL3426094) Show SMILES C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1 Show InChI InChI=1S/C17H18N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h6-11,13H,1-5H2,(H,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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