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SMILES: COc1ccc(cc1OC)-c1cnc2snc(NC(=O)C3CCCC3)c2c1

InChI Key: InChIKey=OHBWYFZGBZENBM-UHFFFAOYSA-N

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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 = 50024267   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))		BDBM50024267
PNG
(CHEMBL3334962)
Show SMILES COc1ccc(cc1OC)-c1cnc2snc(NC(=O)C3CCCC3)c2c1
Show InChI InChI=1S/C20H21N3O3S/c1-25-16-8-7-13(10-17(16)26-2)14-9-15-18(23-27-20(15)21-11-14)22-19(24)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 2.20E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site

J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair