BDBM50538905 CHEMBL4642058

SMILES: COc1cc(OC)cc(c1)-c1ccc2nsc(N3CCOCC3)c2n1

InChI Key: InChIKey=LVTTXQXYOFRIGZ-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 = 50538905   

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))	BDBM50538905 (CHEMBL4642058) Show SMILES COc1cc(OC)cc(c1)-c1ccc2nsc(N3CCOCC3)c2n1 Show InChI InChI=1S/C18H19N3O3S/c1-22-13-9-12(10-14(11-13)23-2)15-3-4-16-17(19-15)18(25-20-16)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	PC cid PC sid UniChem	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of tracer 222 binding to recombinant human GST-tagged GAK (1 to 329 residues) expressed in insect cells incubated for 1 hr by Lanthascreen...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair