Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 210.2 BDBM50162485Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50162485 (CHEMBL1965658) Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(O)=O Show InChI InChI=1S/C8H6N2O3S/c1-3-4-6(11)9-2-10-7(4)14-5(3)8(12)13/h2H,1H3,(H,12,13)(H,9,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis				J Med Chem 59: 2452-67 (2016) Article DOI: 10.1021/acs.jmedchem.5b01607 BindingDB Entry DOI: 10.7270/Q2GQ70NC
					More data for this Ligand-Target Pair
UDP-N-acetylbacillosamine N-acetyltransferase (Campylobacter jejuni subsp. jejuni serotype O:2 (s...)	BDBM50162485 (CHEMBL1965658) Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(O)=O Show InChI InChI=1S/C8H6N2O3S/c1-3-4-6(11)9-2-10-7(4)14-5(3)8(12)13/h2H,1H3,(H,12,13)(H,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Campylobacter jejuni NCTC 11168 PglD acetyltransferase expressed in Escherichia coli BL-21(DE3) strain (Stratagene) assessed as release...				J Med Chem 60: 2099-2118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01869 BindingDB Entry DOI: 10.7270/Q2JD50TC
					More data for this Ligand-Target Pair