Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 403.3 BDBM50607293

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))	BDBM50607293 (CHEMBL5219930) Show SMILES Cc1ccccc1Oc1cc(c(O)cc1C#N)-n1c(=O)cc([nH]c1=O)C(F)(F)F |(2,5.77,;3.33,5,;4.66,5.77,;6,5,;6,3.47,;4.67,2.69,;3.33,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;2.01,-1.93,;2.01,-3.47,;3.34,-1.15,;3.33,.38,;4.67,1.15,;6,1.92,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.67,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50607293 (CHEMBL5219930) Show SMILES Cc1ccccc1Oc1cc(c(O)cc1C#N)-n1c(=O)cc([nH]c1=O)C(F)(F)F |(2,5.77,;3.33,5,;4.66,5.77,;6,5,;6,3.47,;4.67,2.69,;3.33,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;2.01,-1.93,;2.01,-3.47,;3.34,-1.15,;3.33,.38,;4.67,1.15,;6,1.92,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.67,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+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