Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50039861   

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))	BDBM50385268 (CHEMBL2035292) Show SMILES OB(O)CNC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C8H9BN2O5/c12-8(10-5-9(13)14)6-3-1-2-4-7(6)11(15)16/h1-4,13-14H,5H2,(H,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385267 (CHEMBL2035284) Show SMILES COc1cccc(OC)c1C(=O)NCB(O)O Show InChI InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385263 (CHEMBL2035289) Show SMILES OB(O)CNC(=O)c1ccccc1Cl Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM39809 (Acylglycineboronic acid, 6) Show SMILES OB(O)CNC(=O)Cc1ccccc1 Show InChI InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)