Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 412.3 BDBM50607319

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))	BDBM50607319 (BAY-771) Show SMILES Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1 |(19.33,-28.25,;18.05,-27.4,;18.14,-25.87,;16.85,-25.03,;15.47,-25.73,;15.39,-27.26,;16.67,-28.1,;16.58,-29.64,;15.21,-30.34,;13.92,-29.5,;12.55,-30.2,;11.27,-29.36,;11.35,-27.82,;12.73,-27.12,;10.07,-26.97,;8.69,-27.67,;8.61,-29.21,;9.89,-30.05,;9.8,-31.59,;7.23,-27.19,;6.09,-28.22,;5.95,-26.35,;7.32,-25.66,;12.46,-31.74,;11.08,-32.44,;11,-33.97,;12.28,-34.82,;13.65,-34.12,;13.74,-32.58,;15.12,-31.89,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+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))	BDBM50607319 (BAY-771) Show SMILES Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1 |(19.33,-28.25,;18.05,-27.4,;18.14,-25.87,;16.85,-25.03,;15.47,-25.73,;15.39,-27.26,;16.67,-28.1,;16.58,-29.64,;15.21,-30.34,;13.92,-29.5,;12.55,-30.2,;11.27,-29.36,;11.35,-27.82,;12.73,-27.12,;10.07,-26.97,;8.69,-27.67,;8.61,-29.21,;9.89,-30.05,;9.8,-31.59,;7.23,-27.19,;6.09,-28.22,;5.95,-26.35,;7.32,-25.66,;12.46,-31.74,;11.08,-32.44,;11,-33.97,;12.28,-34.82,;13.65,-34.12,;13.74,-32.58,;15.12,-31.89,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+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