Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 387.3 BDBM50607289

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))	BDBM50607289 (CHEMBL5219137) Show SMILES Cc1ccccc1Oc1cc(ccc1C#N)-n1c(=O)cc([nH]c1=O)C(F)(F)F 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	507	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))	BDBM50607289 (CHEMBL5219137) Show SMILES Cc1ccccc1Oc1cc(ccc1C#N)-n1c(=O)cc([nH]c1=O)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+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