BDBM50354561 CHEMBL1836729

SMILES: OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)s1

InChI Key: InChIKey=UOAGMKONDXWVFY-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 = 50354561   

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))	BDBM50354561 (CHEMBL1836729) Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)s1 Show InChI InChI=1S/C12H7ClN2O2S3/c13-9-2-1-7(19-9)8-3-6-11(20-8)12(15-5-14-6)18-4-10(16)17/h1-3,5H,4H2,(H,16,17)	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