BDBM50170015 CHEMBL191543::N-[3-(4-{[3H-Benzothiazol-(2Z)-ylidene]-cyano-methyl}-pyrimidin-2-ylamino)-propyl]-N-propyl-propionamide

SMILES: CCCN(CCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1)C(=O)CC

InChI Key: InChIKey=ROBIDOYKVQMGFS-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 = 50170015   

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
c-Jun N-terminal kinase 3 (Rattus norvegicus)	BDBM50170015 (CHEMBL191543 | N-[3-(4-{[3H-Benzothiazol-(2Z)-ylid...) Show SMILES CCCN(CCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1)C(=O)CC Show InChI InChI=1S/C22H26N6OS/c1-3-13-28(20(29)4-2)14-7-11-24-22-25-12-10-17(27-22)16(15-23)21-26-18-8-5-6-9-19(18)30-21/h5-6,8-10,12,16H,3-4,7,11,13-14H2,1-2H3,(H,24,25,27)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair