Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D-alanyl-D-alanine carboxypeptidase' and Ligand = 'BDBM50337098'   

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))	BDBM50337098 ((R)-1-(2,6-Difluorobenzamido)ethaneboronic acid | ...) Show SMILES C[C@H](NC(=O)c1c(F)cccc1F)B(O)O |r| Show InChI InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair