Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 342.7 BDBM50118612

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))	BDBM50118612 (CHEMBL3617105) Show SMILES CCCc1cc(=O)n2nc(COc3ccc(Cl)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H15ClN4O2/c1-2-3-12-8-16(23)22-17(20-12)14(9-19)15(21-22)10-24-13-6-4-11(18)5-7-13/h4-8,20H,2-3,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118612 (CHEMBL3617105) Show SMILES CCCc1cc(=O)n2nc(COc3ccc(Cl)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H15ClN4O2/c1-2-3-12-8-16(23)22-17(20-12)14(9-19)15(21-22)10-24-13-6-4-11(18)5-7-13/h4-8,20H,2-3,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair