BDBM50169983 CHEMBL424815::[3H-Benzothiazol-(2Z)-ylidene]-{2-[3-(4-methyl-piperazin-1-yl)-propylamino]-pyrimidin-4-yl}-acetonitrile

SMILES: CN1CCN(CCCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)CC1

InChI Key: InChIKey=NWMOQMBMVRDYLN-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 = 50169983   

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)	BDBM50169983 (CHEMBL424815 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES CN1CCN(CCCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)CC1 Show InChI InChI=1S/C21H25N7S/c1-27-11-13-28(14-12-27)10-4-8-23-21-24-9-7-17(26-21)16(15-22)20-25-18-5-2-3-6-19(18)29-20/h2-3,5-7,9,16H,4,8,10-14H2,1H3,(H,23,24,26)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	473	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