BDBM50170006 CHEMBL190250::[3H-Benzothiazol-(2Z)-ylidene]-{2-[2-(4-nitro-phenyl)-ethylamino]-pyrimidin-4-yl}-acetonitrile

SMILES: [O-][N+](=O)c1ccc(CCNc2nccc(n2)C(=C=[N-])c2[nH+]c3ccccc3s2)cc1

InChI Key: InChIKey=UITGIZCPPMOIOT-UHFFFAOYSA-O

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 = 50170006   

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)	BDBM50170006 (CHEMBL190250 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES [O-][N+](=O)c1ccc(CCNc2nccc(n2)C(=C=[N-])c2[nH+]c3ccccc3s2)cc1 Show InChI InChI=1S/C21H15N6O2S/c22-13-16(20-25-18-3-1-2-4-19(18)30-20)17-10-12-24-21(26-17)23-11-9-14-5-7-15(8-6-14)27(28)29/h1-8,10,12H,9,11H2,(H,23,24,26)/q-1/p+1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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