BDBM50538892 CHEMBL4640730

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

InChI Key: InChIKey=ZYOGKVBRLPBVEK-BETUJISGSA-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 = 50538892   

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))	BDBM50538892 (CHEMBL4640730) Show SMILES COc1cc(ccc1NC(C)=O)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C21H24N4O3S/c1-12-10-25(11-13(2)28-12)21-20-18(24-29-21)7-16(9-22-20)15-5-6-17(23-14(3)26)19(8-15)27-4/h5-9,12-13H,10-11H2,1-4H3,(H,23,26)/t12-,13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	132	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