BDBM50086439 CHEMBL3426040

SMILES: Cn1c2ccc(cc2c(N[C@H]2CC[C@H](O)CC2)cc1=O)-c1cncs1

InChI Key: InChIKey=KEKZQVPNLJQCJI-HDJSIYSDSA-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 = 50086439   

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))	BDBM50086439 (CHEMBL3426040) Show SMILES Cn1c2ccc(cc2c(N[C@H]2CC[C@H](O)CC2)cc1=O)-c1cncs1 |r,wU:13.14,wD:10.10,(1.33,-2.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;6.41,5.99,;4.01,6.15,;2.68,5.39,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/C19H21N3O2S/c1-22-17-7-2-12(18-10-20-11-25-18)8-15(17)16(9-19(22)24)21-13-3-5-14(23)6-4-13/h2,7-11,13-14,21,23H,3-6H2,1H3/t13-,14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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)	BDBM50086439 (CHEMBL3426040) Show SMILES Cn1c2ccc(cc2c(N[C@H]2CC[C@H](O)CC2)cc1=O)-c1cncs1 |r,wU:13.14,wD:10.10,(1.33,-2.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;6.41,5.99,;4.01,6.15,;2.68,5.39,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/C19H21N3O2S/c1-22-17-7-2-12(18-10-20-11-25-18)8-15(17)16(9-19(22)24)21-13-3-5-14(23)6-4-13/h2,7-11,13-14,21,23H,3-6H2,1H3/t13-,14-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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