BDBM50431305 CHEMBL2349216

SMILES: CCc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C(CC(O)=O)C(O)=O)C2=O)o1

InChI Key: InChIKey=JZOJWSJRBKTEGZ-SXGWCWSVSA-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 = 50431305   

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 5 (Homo sapiens (Human))	BDBM50431305 (CHEMBL2349216) Show SMILES CCc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C(CC(O)=O)C(O)=O)C2=O)o1 Show InChI InChI=1S/C20H17NO6S2/c1-2-11-3-5-12(6-4-11)15-8-7-13(27-15)9-16-18(24)21(20(28)29-16)14(19(25)26)10-17(22)23/h3-9,14H,2,10H2,1H3,(H,22,23)(H,25,26)/b16-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair