Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase' and Ligand = 'BDBM50137776'   

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
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137776 (CHEMBL91833 | N-(3-Cyano-5,6-dihydro-4H-cyclopenta...) Show SMILES CN(C)c1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H24N4O4S2/c1-24(2)18-7-6-14(31(27,28)25-8-10-29-11-9-25)12-16(18)20(26)23-21-17(13-22)15-4-3-5-19(15)30-21/h6-7,12H,3-5,8-11H2,1-2H3,(H,23,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF				Bioorg Med Chem 16: 1218-35 (2008) Article DOI: 10.1016/j.bmc.2007.10.076 BindingDB Entry DOI: 10.7270/Q2VX0HCT
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137776 (CHEMBL91833 | N-(3-Cyano-5,6-dihydro-4H-cyclopenta...) Show SMILES CN(C)c1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H24N4O4S2/c1-24(2)18-7-6-14(31(27,28)25-8-10-29-11-9-25)12-16(18)20(26)23-21-17(13-22)15-4-3-5-19(15)30-21/h6-7,12H,3-5,8-11H2,1-2H3,(H,23,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair