BDBM50354552 CHEMBL1836638

SMILES: CC(=O)Nc1ccc(cc1)-c1cc2ncnc(OCC(O)=O)c2s1

InChI Key: InChIKey=CPHFMFDAKVAYBP-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 = 50354552   

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))	BDBM50354552 (CHEMBL1836638) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2ncnc(OCC(O)=O)c2s1 Show InChI InChI=1S/C16H13N3O4S/c1-9(20)19-11-4-2-10(3-5-11)13-6-12-15(24-13)16(18-8-17-12)23-7-14(21)22/h2-6,8H,7H2,1H3,(H,19,20)(H,21,22)	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+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