BDBM50169988 CHEMBL362932::[3H-Benzothiazol-(2Z)-ylidene]-{2-[2-(3,4-dichloro-phenyl)-ethylamino]-pyrimidin-4-yl}-acetonitrile

SMILES: Clc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1Cl

InChI Key: InChIKey=XZAGVZYGZSTVEC-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 = 50169988   

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)	BDBM50169988 (CHEMBL362932 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES Clc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1Cl Show InChI InChI=1S/C21H15Cl2N5S/c22-15-6-5-13(11-16(15)23)7-9-25-21-26-10-8-17(28-21)14(12-24)20-27-18-3-1-2-4-19(18)29-20/h1-6,8,10-11,14H,7,9H2,(H,25,26,28)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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