BDBM50354554 CHEMBL1836728

SMILES: COc1ccc(cn1)-c1cc2ncnc(SCC(O)=O)c2s1

InChI Key: InChIKey=AGBBSOYJENLDIA-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 = 50354554   

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))	BDBM50354554 (CHEMBL1836728) Show SMILES COc1ccc(cn1)-c1cc2ncnc(SCC(O)=O)c2s1 Show InChI InChI=1S/C14H11N3O3S2/c1-20-11-3-2-8(5-15-11)10-4-9-13(22-10)14(17-7-16-9)21-6-12(18)19/h2-5,7H,6H2,1H3,(H,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	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