BDBM50354558 CHEMBL1836725

SMILES: CCOC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=YJWXZHUJTKLNPX-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 = 50354558   

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
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50354558 (CHEMBL1836725) Show SMILES CCOC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O2S2/c1-2-21-14(20)8-22-16-15-12(18-9-19-16)7-13(23-15)10-3-5-11(17)6-4-10/h3-7,9H,2,8H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of TPL2				Bioorg Med Chem Lett 21: 5952-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.069 BindingDB Entry DOI: 10.7270/Q2X63NC0
					More data for this Ligand-Target Pair