BDBM50259130 CHEMBL4082380

SMILES: O=C(Cn1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nn1)Nc1ccccc1

InChI Key: InChIKey=NPYFFQUOSZBAJR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50259130   

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
Alpha glucosidase (Homo sapiens (Human))	BDBM50259130 (CHEMBL4082380) Show SMILES O=C(Cn1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nn1)Nc1ccccc1 Show InChI InChI=1S/C26H21N7OS/c34-23(27-21-14-8-3-9-15-21)17-33-16-22(29-32-33)18-35-26-28-24(19-10-4-1-5-11-19)25(30-31-26)20-12-6-2-7-13-20/h1-16H,17-18H2,(H,27,34)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair