BDBM50354564 CHEMBL1836643

SMILES: CN(CC(O)=O)c1ncnc2cc(sc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=TVTJYECOKPXFCR-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 = 50354564   

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))	BDBM50354564 (CHEMBL1836643) Show SMILES CN(CC(O)=O)c1ncnc2cc(sc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN3O2S/c1-19(7-13(20)21)15-14-11(17-8-18-15)6-12(22-14)9-2-4-10(16)5-3-9/h2-6,8H,7H2,1H3,(H,20,21)	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