BDBM50354549 CHEMBL1836639

SMILES: OC(=O)COc1ncnc2cc(sc12)-c1ccc2NC(=O)CCc2c1

InChI Key: InChIKey=BTIVHIFLTSHJBX-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 = 50354549   

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))	BDBM50354549 (CHEMBL1836639) Show SMILES OC(=O)COc1ncnc2cc(sc12)-c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C17H13N3O4S/c21-14-4-2-9-5-10(1-3-11(9)20-14)13-6-12-16(25-13)17(19-8-18-12)24-7-15(22)23/h1,3,5-6,8H,2,4,7H2,(H,20,21)(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	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