BDBM50089676 CHEMBL3577317

SMILES: CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

InChI Key: InChIKey=YEXIBPDKYUNGGR-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089676   

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
Beta-hexosaminidase subunit alpha (HexA) (Homo sapiens (Human))	BDBM50089676 (CHEMBL3577317) Show SMILES CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H15ClN4/c1-2-3-10-11(12(15)18-13(16)17-10)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair