BDBM50086272 CHEMBL3425871

SMILES: COc1ccc(cc1OC)-c1cnc2c(snc2c1)N(CCO)CCO

InChI Key: InChIKey=NVFCJCPRTFEMPK-UHFFFAOYSA-N

Data: 1 Kd

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 = 50086272   

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
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50086272 (CHEMBL3425871) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N(CCO)CCO Show InChI InChI=1S/C18H21N3O4S/c1-24-15-4-3-12(10-16(15)25-2)13-9-14-17(19-11-13)18(26-20-14)21(5-7-22)6-8-23/h3-4,9-11,22-23H,5-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis				J Med Chem 58: 3393-410 (2015) Article DOI: 10.1021/jm501759m BindingDB Entry DOI: 10.7270/Q2XD13D4
					More data for this Ligand-Target Pair