BDBM50538894 CHEMBL4635431

SMILES: COc1cc(ccc1NC(=O)c1ccccc1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1

InChI Key: InChIKey=JWRLUAFNLKJWLR-CALCHBBNSA-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 = 50538894   

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))	BDBM50538894 (CHEMBL4635431) Show SMILES COc1cc(ccc1NC(=O)c1ccccc1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C26H26N4O3S/c1-16-14-30(15-17(2)33-16)26-24-22(29-34-26)11-20(13-27-24)19-9-10-21(23(12-19)32-3)28-25(31)18-7-5-4-6-8-18/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	370	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