BDBM50086260 CHEMBL3425846

SMILES: COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCOCC1

InChI Key: InChIKey=LCSIESIOMOMQNH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50086260   

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))	BDBM50086260 (CHEMBL3425846) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCOCC1 Show InChI InChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,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	52	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50086260 (CHEMBL3425846) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCOCC1 Show InChI InChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,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	52	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