Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D-alanyl-D-alanine carboxypeptidase' and Ligand = 'BDBM50385266'   

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
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385266 (CHEMBL2035295) Show SMILES OB(O)CNC(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C9H9BF3NO3/c11-9(12,13)7-4-2-1-3-6(7)8(15)14-5-10(16)17/h1-4,16-17H,5H2,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
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