BDBM50086274 CHEMBL3425873

SMILES: COc1ccc(cc1OC)-c1cnc2c(NCC3CC3)snc2c1

InChI Key: InChIKey=VFYXRIXLBXVVFF-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 = 50086274   

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))	BDBM50086274 (CHEMBL3425873) Show SMILES COc1ccc(cc1OC)-c1cnc2c(NCC3CC3)snc2c1 Show InChI InChI=1S/C18H19N3O2S/c1-22-15-6-5-12(8-16(15)23-2)13-7-14-17(19-10-13)18(24-21-14)20-9-11-3-4-11/h5-8,10-11,20H,3-4,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	27	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