BDBM50481511 CHEMBL590996

SMILES: COc1ccc(cc1)S(=O)(=O)N1C(=O)\C(=C2/SC(=S)N(CC=C)C2=O)c2ccccc12

InChI Key: InChIKey=MSZXFAUXYDJPFZ-ZCXUNETKSA-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 = 50481511   

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
LL-diaminopimelate aminotransferase, chloroplastic (Arabidopsis thaliana)	BDBM50481511 (CHEMBL590996) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)\C(=C2/SC(=S)N(CC=C)C2=O)c2ccccc12 Show InChI InChI=1S/C21H16N2O5S3/c1-3-12-22-20(25)18(30-21(22)29)17-15-6-4-5-7-16(15)23(19(17)24)31(26,27)14-10-8-13(28-2)9-11-14/h3-11H,1,12H2,2H3/b18-17-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana LL-DAP-AT expressed in Escherichia coli by aminobenzaldehyde-based assay				Bioorg Med Chem 18: 2141-2151 (2010) Article DOI: 10.1016/j.bmc.2010.02.001 BindingDB Entry DOI: 10.7270/Q2WM1H82
					More data for this Ligand-Target Pair