BDBM50507721 CHEMBL4454241

SMILES: COc1ccc(cc1OC)-c1cnc2c(snc2c1)C#CC(C)C

InChI Key: InChIKey=CDCXDNNYMHWNKB-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 = 50507721   

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
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507721 (CHEMBL4454241) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)C#CC(C)C Show InChI InChI=1S/C19H18N2O2S/c1-12(2)5-8-18-19-15(21-24-18)9-14(11-20-19)13-6-7-16(22-3)17(10-13)23-4/h6-7,9-12H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20E+3	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