Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'D-alanine--D-alanine ligase'   

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-alanine--D-alanine ligase (Helicobacter pylori (strain HPAG1))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate				Citation and Details Article DOI: 10.1007/s00044-012-0207-7 BindingDB Entry DOI: 10.7270/Q2CZ3B2V
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Helicobacter pylori (strain HPAG1))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate				Citation and Details Article DOI: 10.1007/s00044-012-0207-7 BindingDB Entry DOI: 10.7270/Q2CZ3B2V
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520701 (CHEMBL4515707) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1cccc(F)c1 Show InChI InChI=1S/C14H12FN3O2S/c15-9-4-3-5-10(8-9)16-14(21)18-17-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520694 (CHEMBL4535288) Show SMILES CC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C16H15N3O3S/c1-10(20)11-6-8-12(9-7-11)17-16(23)19-18-15(22)13-4-2-3-5-14(13)21/h2-9,21H,1H3,(H,18,22)(H2,17,19,23)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520691 (CHEMBL4457124) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(cc1)C#N Show InChI InChI=1S/C15H12N4O2S/c16-9-10-5-7-11(8-6-10)17-15(22)19-18-14(21)12-3-1-2-4-13(12)20/h1-8,20H,(H,18,21)(H2,17,19,22)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520692 (CHEMBL4441028) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1cccc2ccccc12 Show InChI InChI=1S/C18H15N3O2S/c22-16-11-4-3-9-14(16)17(23)20-21-18(24)19-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,22H,(H,20,23)(H2,19,21,24)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520690 (CHEMBL4547125) Show SMILES COc1ccccc1NC(=S)NNC(=O)c1ccccc1O Show InChI InChI=1S/C15H15N3O3S/c1-21-13-9-5-3-7-11(13)16-15(22)18-17-14(20)10-6-2-4-8-12(10)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,22)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520695 (CHEMBL4450059) Show SMILES Oc1cc2ccccc2cc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H13Cl2N3O2S/c19-14-6-5-12(9-15(14)20)21-18(26)23-22-17(25)13-7-10-3-1-2-4-11(10)8-16(13)24/h1-9,24H,(H,22,25)(H2,21,23,26)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520684 (CHEMBL4566999) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl Show InChI InChI=1S/C14H11Cl2N3O2S/c15-8-5-6-11(10(16)7-8)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520687 (CHEMBL4445254) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1cccc(Cl)c1 Show InChI InChI=1S/C14H12ClN3O2S/c15-9-4-3-5-10(8-9)16-14(21)18-17-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520700 (CHEMBL4448556) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H12F3N3O3S/c16-15(17,18)24-10-7-5-9(6-8-10)19-14(25)21-20-13(23)11-3-1-2-4-12(11)22/h1-8,22H,(H,20,23)(H2,19,21,25)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520696 (CHEMBL4524762) Show SMILES COc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C15H15N3O3S/c1-21-11-8-6-10(7-9-11)16-15(22)18-17-14(20)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,22)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520693 (CHEMBL4591078) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1cccc(I)c1 Show InChI InChI=1S/C14H12IN3O2S/c15-9-4-3-5-10(8-9)16-14(21)18-17-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520698 (CHEMBL4472847) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C14H12ClN3O2S/c15-10-6-2-3-7-11(10)16-14(21)18-17-13(20)9-5-1-4-8-12(9)19/h1-8,19H,(H,17,20)(H2,16,18,21)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50133806 (CHEMBL3633780) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccccc1 Show InChI InChI=1S/C14H13N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H2,15,17,20)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520703 (CHEMBL4594055) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C14H12ClN3O2S/c15-9-5-7-10(8-6-9)16-14(21)18-17-13(20)11-3-1-2-4-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520689 (CHEMBL4531935) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(F)cc1 Show InChI InChI=1S/C14H12FN3O2S/c15-9-5-7-10(8-6-9)16-14(21)18-17-13(20)11-3-1-2-4-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520699 (CHEMBL4514663) Show SMILES CCCCCNC(=S)NNC(=O)c1ccccc1O Show InChI InChI=1S/C13H19N3O2S/c1-2-3-6-9-14-13(19)16-15-12(18)10-7-4-5-8-11(10)17/h4-5,7-8,17H,2-3,6,9H2,1H3,(H,15,18)(H2,14,16,19)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520685 (CHEMBL4461445) Show SMILES Oc1cc(I)ccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H10Cl2IN3O2S/c15-10-4-2-8(6-11(10)16)18-14(23)20-19-13(22)9-3-1-7(17)5-12(9)21/h1-6,21H,(H,19,22)(H2,18,20,23)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520688 (CHEMBL4453039) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccccc1F Show InChI InChI=1S/C14H12FN3O2S/c15-10-6-2-3-7-11(10)16-14(21)18-17-13(20)9-5-1-4-8-12(9)19/h1-8,19H,(H,17,20)(H2,16,18,21)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520702 (CHEMBL4451238) Show SMILES Nc1ccc(C(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)c(O)c1 Show InChI InChI=1S/C14H12Cl2N4O2S/c15-10-4-2-8(6-11(10)16)18-14(23)20-19-13(22)9-3-1-7(17)5-12(9)21/h1-6,21H,17H2,(H,19,22)(H2,18,20,23)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520697 (CHEMBL4465913) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H19N3O3S/c25-19-9-5-4-8-18(19)20(26)23-24-21(28)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-13,25H,14H2,(H,23,26)(H2,22,24,28)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase B (Escherichia coli K-12)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Escherichia coli DdlB using ATP as substrate				Citation and Details Article DOI: 10.1007/s00044-012-0207-7 BindingDB Entry DOI: 10.7270/Q2CZ3B2V
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Helicobacter pylori (strain HPAG1))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	4.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate				Citation and Details Article DOI: 10.1007/s00044-012-0207-7 BindingDB Entry DOI: 10.7270/Q2CZ3B2V
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Helicobacter pylori (strain HPAG1))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate				Citation and Details Article DOI: 10.1007/s00044-012-0207-7 BindingDB Entry DOI: 10.7270/Q2CZ3B2V
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase B (Escherichia coli K-12)	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Escherichia coli DdlB using ATP as substrate				Citation and Details Article DOI: 10.1007/s00044-012-0207-7 BindingDB Entry DOI: 10.7270/Q2CZ3B2V
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase B (Escherichia coli K-12)	BDBM50589509 (CHEMBL5173242) Show SMILES CC[C@H](C)[C@@H](CCC(=O)NC)NC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)[C@H](CCC(C)C)NCc1cnn(C)c1-c1ccc(OC)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128915 BindingDB Entry DOI: 10.7270/Q2VT1X1N
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50103516 (CHEBI:40009 | Cycloserine | Seromycin) Show SMILES N[C@@H]1CONC1=O |r| Show InChI InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520686 (CHEMBL4537639) Show SMILES CCOC(=O)c1cc(Br)c2nc(oc2c1)-c1cccc(CN)c1 Show InChI InChI=1S/C17H15BrN2O3/c1-2-22-17(21)12-7-13(18)15-14(8-12)23-16(20-15)11-5-3-4-10(6-11)9-19/h3-8H,2,9,19H2,1H3	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis Ddl				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Helicobacter pylori (strain HPAG1))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Helicobacter pylori Ddl by surface plasmon resonance biosensor technology				Citation and Details Article DOI: 10.1007/s00044-012-0207-7 BindingDB Entry DOI: 10.7270/Q2CZ3B2V
					More data for this Ligand-Target Pair