Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 350.6 BDBM50607287

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, cytosolic (Homo sapiens (Human))	BDBM50607287 (CHEMBL5219727) Show SMILES COc1cc(OC)c(cc1Cl)-n1c(=O)cc([nH]c1=O)C(F)(F)F |(5.33,4.23,;5.33,2.69,;4,1.92,;4,.39,;2.67,-.39,;2.67,-1.93,;4.01,-2.7,;1.33,.39,;1.34,1.93,;2.67,2.69,;2.67,4.23,;0,-.38,;-1.33,.39,;-1.33,1.93,;-2.67,-.38,;-2.67,-1.92,;-1.33,-2.69,;0,-1.92,;1.33,-2.69,;-4,-2.69,;-4,-4.23,;-5.33,-1.92,;-5.33,-3.46,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00441 BindingDB Entry DOI: 10.7270/Q2SN0F31
					More data for this Ligand-Target Pair				3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50607287 (CHEMBL5219727) Show SMILES COc1cc(OC)c(cc1Cl)-n1c(=O)cc([nH]c1=O)C(F)(F)F |(5.33,4.23,;5.33,2.69,;4,1.92,;4,.39,;2.67,-.39,;2.67,-1.93,;4.01,-2.7,;1.33,.39,;1.34,1.93,;2.67,2.69,;2.67,4.23,;0,-.38,;-1.33,.39,;-1.33,1.93,;-2.67,-.38,;-2.67,-1.92,;-1.33,-2.69,;0,-1.92,;1.33,-2.69,;-4,-2.69,;-4,-4.23,;-5.33,-1.92,;-5.33,-3.46,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00441 BindingDB Entry DOI: 10.7270/Q2SN0F31
					More data for this Ligand-Target Pair