Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'lundqvist' and Initial = 't'   

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
Glutamate racemase (Helicobacter pylori)	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori glutamate racemase				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Helicobacter pylori)	BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(17.56,4.29,;19.1,4.29,;20,5.54,;21.47,5.06,;21.47,3.52,;20,3.04,;19.53,1.58,;20.45,.33,;21.99,.33,;22.76,-1.01,;21.98,-2.34,;22.75,-3.67,;24.29,-3.67,;25.06,-2.32,;26.59,-2.32,;27.35,-.99,;26.57,.34,;27.33,1.68,;25.05,.33,;24.29,-1,;19.53,-.93,;18.06,-.45,;16.72,-1.22,;16.71,-2.76,;15.38,-3.52,;13.84,-3.53,;14.61,-4.86,;15.38,-.45,;14.05,-1.22,;15.38,1.1,;14.05,1.87,;16.72,1.88,;16.71,3.42,;18.06,1.1,;22.71,5.96,;23.96,6.86,)| Show InChI InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori glutamate racemase				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256537 (1-(5-phenyl-3-(thiophen-2-yl)-3H-benzo[e][1,4]diaz...) Show SMILES OC1CN(C1)C1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:15,t:6| Show InChI InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Helicobacter pylori J99)	BDBM50256640 (CHEMBL445496 | N-methyl-5-(1H-pyrrol-3-yl)-3-(thio...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1cc[nH]c1 |c:11,t:2| Show InChI InChI=1S/C17H15N5S/c1-18-17-15(13-5-3-9-23-13)21-14(11-6-8-19-10-11)12-4-2-7-20-16(12)22-17/h2-10,15,19H,1H3,(H,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256592 (CHEMBL503732 | N-methyl-3,5-di(thiophen-2-yl)-3H-p...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1cccs1 |c:11,t:2| Show InChI InChI=1S/C17H14N4S2/c1-18-17-15(13-7-4-10-23-13)20-14(12-6-3-9-22-12)11-5-2-8-19-16(11)21-17/h2-10,15H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263189 (9-(3-chloro-2,6-difluorobenzyl)-2-(butylthio)-9H-p...) Show SMILES CCCCSc1ncc2ncn(Cc3c(F)ccc(Cl)c3F)c2n1 Show InChI InChI=1S/C16H15ClF2N4S/c1-2-3-6-24-16-20-7-13-15(22-16)23(9-21-13)8-10-12(18)5-4-11(17)14(10)19/h4-5,7,9H,2-3,6,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256463 (CHEMBL480370 | N-ethyl-5-phenyl-3-(thiophen-2-yl)-...) Show SMILES CCNC1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:12,t:3| Show InChI InChI=1S/C21H19N3S/c1-2-22-21-20(18-13-8-14-25-18)24-19(15-9-4-3-5-10-15)16-11-6-7-12-17(16)23-21/h3-14,20H,2H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256642 (5-(isothiazol-5-yl)-N-methyl-3-(thiophen-2-yl)-3H-...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1ccns1 |c:11,t:2| Show InChI InChI=1S/C16H13N5S2/c1-17-16-14(11-5-3-9-22-11)20-13(12-6-8-19-23-12)10-4-2-7-18-15(10)21-16/h2-9,14H,1H3,(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256535 (CHEMBL507213 | N-cyclopropyl-5-phenyl-3-(thiophen-...) Show SMILES C1CC1NC1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:14,t:5| Show InChI InChI=1S/C22H19N3S/c1-2-7-15(8-3-1)20-17-9-4-5-10-18(17)24-22(23-16-12-13-16)21(25-20)19-11-6-14-26-19/h1-11,14,16,21H,12-13H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori glutamate racemase				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Enterococcus faecalis)	BDBM50263105 (9-(2-methoxy-5-nitrobenzyl)-2-(butylthio)-9H-purin...) Show SMILES CCCCSc1nc(N)c2ncn(Cc3cc(ccc3OC)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C17H20N6O3S/c1-3-4-7-27-17-20-15(18)14-16(21-17)22(10-19-14)9-11-8-12(23(24)25)5-6-13(11)26-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256638 (CHEMBL516239 | N-methyl-5-(thiazol-2-yl)-3-(thioph...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1nccs1 |c:11,t:2| Show InChI InChI=1S/C16H13N5S2/c1-17-15-13(11-5-3-8-22-11)20-12(16-19-7-9-23-16)10-4-2-6-18-14(10)21-15/h2-9,13H,1H3,(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256462 (CHEMBL509706 | N-methyl-5-phenyl-3-(thiophen-2-yl)...) Show SMILES CNC1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:11,t:2| Show InChI InChI=1S/C20H17N3S/c1-21-20-19(17-12-7-13-24-17)23-18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)22-20/h2-13,19H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256590 (CHEMBL475034 | N,8-dimethyl-5-phenyl-3-(thiophen-2...) Show SMILES CNC1=Nc2nc(C)ccc2C(=NC1c1cccs1)c1ccccc1 |c:12,t:2| Show InChI InChI=1S/C20H18N4S/c1-13-10-11-15-17(14-7-4-3-5-8-14)23-18(16-9-6-12-25-16)20(21-2)24-19(15)22-13/h3-12,18H,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256593 (5-(furan-2-yl)-N-methyl-3-(thiophen-2-yl)-3H-pyrid...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1ccco1 |c:11,t:2| Show InChI InChI=1S/C17H14N4OS/c1-18-17-15(13-7-4-10-23-13)20-14(12-6-3-9-22-12)11-5-2-8-19-16(11)21-17/h2-10,15H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263187 (9-(3-chloro-2,6-difluorobenzyl)-2-butoxy-N-(pyridi...) Show SMILES CCCCOc1nc(NCc2cccnc2)c2ncn(Cc3c(F)ccc(Cl)c3F)c2n1 Show InChI InChI=1S/C22H21ClF2N6O/c1-2-3-9-32-22-29-20(27-11-14-5-4-8-26-10-14)19-21(30-22)31(13-28-19)12-15-17(24)7-6-16(23)18(15)25/h4-8,10,13H,2-3,9,11-12H2,1H3,(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263107 (9-(3-chloro-2,6-difluorobenzyl)-2-(butylthio)-9H-p...) Show SMILES CCCCSc1nc(N)c2ncn(Cc3c(F)ccc(Cl)c3F)c2n1 Show InChI InChI=1S/C16H16ClF2N5S/c1-2-3-6-25-16-22-14(20)13-15(23-16)24(8-21-13)7-9-11(18)5-4-10(17)12(9)19/h4-5,8H,2-3,6-7H2,1H3,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256588 (CHEMBL474200 | N-methyl-5-phenyl-3-(thiophen-2-yl)...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1ccccc1 |c:11,t:2| Show InChI InChI=1S/C19H16N4S/c1-20-19-17(15-10-6-12-24-15)22-16(13-7-3-2-4-8-13)14-9-5-11-21-18(14)23-19/h2-12,17H,1H3,(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256643 (3-(3-chlorothiophen-2-yl)-5-(furan-2-yl)-N-methyl-...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1sccc1Cl)c1ccco1 |c:11,t:2| Show InChI InChI=1S/C17H13ClN4OS/c1-19-17-14(15-11(18)6-9-24-15)21-13(12-5-3-8-23-12)10-4-2-7-20-16(10)22-17/h2-9,14H,1H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256538 (5-phenyl-2-(pyrrolidin-1-yl)-3-(thiophen-2-yl)-3H-...) Show SMILES C1CCN(C1)C1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:15,t:6| Show InChI InChI=1S/C23H21N3S/c1-2-9-17(10-3-1)21-18-11-4-5-12-19(18)24-23(26-14-6-7-15-26)22(25-21)20-13-8-16-27-20/h1-5,8-13,16,22H,6-7,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256464 (5-phenyl-N-propyl-3-(thiophen-2-yl)-3H-benzo[e][1,...) Show SMILES CCCNC1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:13,t:4| Show InChI InChI=1S/C22H21N3S/c1-2-14-23-22-21(19-13-8-15-26-19)25-20(16-9-4-3-5-10-16)17-11-6-7-12-18(17)24-22/h3-13,15,21H,2,14H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263106 (9-(2,6-difluorobenzyl)-2-(butylthio)-9H-purin-6-am...) Show SMILES CCCCSc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1 Show InChI InChI=1S/C16H17F2N5S/c1-2-3-7-24-16-21-14(19)13-15(22-16)23(9-20-13)8-10-11(17)5-4-6-12(10)18/h4-6,9H,2-3,7-8H2,1H3,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256641 (5-cyclopentyl-N-methyl-3-(thiophen-2-yl)-3H-pyrido...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)C1CCCC1 |c:11,t:2| Show InChI InChI=1S/C18H20N4S/c1-19-18-16(14-9-5-11-23-14)21-15(12-6-2-3-7-12)13-8-4-10-20-17(13)22-18/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263141 (9-(2,6-difluoro-3-methylbenzyl)-2-(1,1,1,2,2-penta...) Show SMILES CCC(Oc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1)C(F)(F)C(F)(F)F Show InChI InChI=1S/C18H16F7N5O/c1-3-11(17(21,22)18(23,24)25)31-16-28-14(26)13-15(29-16)30(7-27-13)6-9-10(19)5-4-8(2)12(9)20/h4-5,7,11H,3,6H2,1-2H3,(H2,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263191 (3-(2,6-difluorobenzyl)-5-(butylthio)-3H-[1,2,3]tri...) Show SMILES CCCCSc1nc(N)c2nnn(Cc3c(F)cccc3F)c2n1 Show InChI InChI=1S/C15H16F2N6S/c1-2-3-7-24-15-19-13(18)12-14(20-15)23(22-21-12)8-9-10(16)5-4-6-11(9)17/h4-6H,2-3,7-8H2,1H3,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256680 (4-(5-(5-(furan-2-yl)-2-(methylamino)-3H-pyrido[2,3...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cc(cs1)C#CC(C)O)c1ccco1 |c:11,t:2| Show InChI InChI=1S/C21H18N4O2S/c1-13(26)7-8-14-11-17(28-12-14)19-21(22-2)25-20-15(5-3-9-23-20)18(24-19)16-6-4-10-27-16/h3-6,9-13,19,26H,1-2H3,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263108 (9-(2,6-difluoro-3-methylbenzyl)-2-(butylthio)-9H-p...) Show SMILES CCCCSc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1 Show InChI InChI=1S/C17H19F2N5S/c1-3-4-7-25-17-22-15(20)14-16(23-17)24(9-21-14)8-11-12(18)6-5-10(2)13(11)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263144 (9-(2,6-difluorobenzyl)-2-butoxy-N-methyl-9H-purin-...) Show SMILES CCCCOc1nc(NC)c2ncn(Cc3c(F)cccc3F)c2n1 Show InChI InChI=1S/C17H19F2N5O/c1-3-4-8-25-17-22-15(20-2)14-16(23-17)24(10-21-14)9-11-12(18)6-5-7-13(11)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263188 (2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-y...) Show SMILES CCCCOc1nc(NCCN2CCOCC2)c2ncn(Cc3c(F)cccc3F)c2n1 Show InChI InChI=1S/C22H28F2N6O2/c1-2-3-11-32-22-27-20(25-7-8-29-9-12-31-13-10-29)19-21(28-22)30(15-26-19)14-16-17(23)5-4-6-18(16)24/h4-6,15H,2-3,7-14H2,1H3,(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Helicobacter pylori J99)	BDBM50256639 (CHEMBL475386 | N-methyl-5-(oxazol-2-yl)-3-(thiophe...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cccs1)c1ncco1 |c:11,t:2| Show InChI InChI=1S/C16H13N5OS/c1-17-15-13(11-5-3-9-23-11)20-12(16-19-7-8-22-16)10-4-2-6-18-14(10)21-15/h2-9,13H,1H3,(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256681 (5-(furan-2-yl)-N-methyl-3-(thiazol-5-yl)-3H-pyrido...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1cncs1)c1ccco1 |c:11,t:2| Show InChI InChI=1S/C16H13N5OS/c1-17-16-14(12-8-18-9-23-12)20-13(11-5-3-7-22-11)10-4-2-6-19-15(10)21-16/h2-9,14H,1H3,(H,17,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256682 (5-(furan-2-yl)-3-(isothiazol-5-yl)-N-methyl-3H-pyr...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1ccns1)c1ccco1 |c:11,t:2| Show InChI InChI=1S/C16H13N5OS/c1-17-16-14(12-6-8-19-23-12)20-13(11-5-3-9-22-11)10-4-2-7-18-15(10)21-16/h2-9,14H,1H3,(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263067 (9-(3-nitrobenzyl)-2-(butylthio)-9H-purin-6-amine |...) Show SMILES CCCCSc1nc(N)c2ncn(Cc3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H18N6O2S/c1-2-3-7-25-16-19-14(17)13-15(20-16)21(10-18-13)9-11-5-4-6-12(8-11)22(23)24/h4-6,8,10H,2-3,7,9H2,1H3,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263109 (9-(2,6-difluoro-3-methylbenzyl)-2-butoxy-9H-purin-...) Show SMILES CCCCOc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1 Show InChI InChI=1S/C17H19F2N5O/c1-3-4-7-25-17-22-15(20)14-16(23-17)24(9-21-14)8-11-12(18)6-5-10(2)13(11)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263190 (9-(2,6-difluoro-3-methylbenzyl)-2-(butylthio)-1H-p...) Show SMILES CCCCSc1nc2n(Cc3c(F)ccc(C)c3F)cnc2c(=O)[nH]1 Show InChI InChI=1S/C17H18F2N4OS/c1-3-4-7-25-17-21-15-14(16(24)22-17)20-9-23(15)8-11-12(18)6-5-10(2)13(11)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256539 (7-chloro-N-methyl-5-phenyl-3-(thiophen-2-yl)-3H-be...) Show SMILES CNC1=Nc2ccc(Cl)cc2C(=NC1c1cccs1)c1ccccc1 |c:12,t:2| Show InChI InChI=1S/C20H16ClN3S/c1-22-20-19(17-8-5-11-25-17)24-18(13-6-3-2-4-7-13)15-12-14(21)9-10-16(15)23-20/h2-12,19H,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256683 (3,5-di(furan-2-yl)-N-methyl-3H-pyrido[2,3-e][1,4]d...) Show SMILES CNC1=Nc2ncccc2C(=NC1c1ccco1)c1ccco1 |c:11,t:2| Show InChI InChI=1S/C17H14N4O2/c1-18-17-15(13-7-4-10-23-13)20-14(12-6-3-9-22-12)11-5-2-8-19-16(11)21-17/h2-10,15H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256536 (CHEMBL481377 | N-(2-methoxyethyl)-5-phenyl-3-(thio...) Show SMILES COCCNC1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:14,t:5| Show InChI InChI=1S/C22H21N3OS/c1-26-14-13-23-22-21(19-12-7-15-27-19)25-20(16-8-3-2-4-9-16)17-10-5-6-11-18(17)24-22/h2-12,15,21H,13-14H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263142 (9-(2,6-difluorobenzyl)-N2-butyl-9H-purine-2,6-diam...) Show SMILES CCCCNc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1 Show InChI InChI=1S/C16H18F2N6/c1-2-3-7-20-16-22-14(19)13-15(23-16)24(9-21-13)8-10-11(17)5-4-6-12(10)18/h4-6,9H,2-3,7-8H2,1H3,(H3,19,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263240 (9-(2,6-difluorobenzyl)-6-amino-2-butoxy-7H-purin-8...) Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3c(F)cccc3F)c2n1 Show InChI InChI=1S/C16H17F2N5O2/c1-2-3-7-25-15-21-13(19)12-14(22-15)23(16(24)20-12)8-9-10(17)5-4-6-11(9)18/h4-6H,2-3,7-8H2,1H3,(H,20,24)(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256591 (CHEMBL514024 | N-methyl-9-phenyl-7-(thiophen-2-yl)...) Show SMILES CNC1=Nc2cncnc2C(=NC1c1cccs1)c1ccccc1 |c:11,t:2| Show InChI InChI=1S/C18H15N5S/c1-19-18-17(14-8-5-9-24-14)23-15(12-6-3-2-4-7-12)16-13(22-18)10-20-11-21-16/h2-11,17H,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256589 (2-(methylamino)-5-phenyl-3-(thiophen-2-yl)-3H-pyri...) Show SMILES C\[NH+]=C1\[N-]c2c(ccc[n+]2[O-])C(=NC1c1cccs1)c1ccccc1 |c:12| Show InChI InChI=1S/C19H15N4OS/c1-20-18-17(15-10-6-12-25-15)21-16(13-7-3-2-4-8-13)14-9-5-11-23(24)19(14)22-18/h2-12,17H,1H3/q-1/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263143 (CHEMBL477196 | N-(1-(9-(2,6-difluoro-3-methylbenzy...) Show SMILES CC(NC(C)=O)Oc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1 Show InChI InChI=1S/C17H18F2N6O2/c1-8-4-5-12(18)11(13(8)19)6-25-7-21-14-15(20)23-17(24-16(14)25)27-10(3)22-9(2)26/h4-5,7,10H,6H2,1-3H3,(H,22,26)(H2,20,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50256462 (CHEMBL509706 | N-methyl-5-phenyl-3-(thiophen-2-yl)...) Show SMILES CNC1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:11,t:2| Show InChI InChI=1S/C20H17N3S/c1-21-20-19(17-12-7-13-24-17)23-18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)22-20/h2-13,19H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Enterococcus faecalis)	BDBM50263145 (9-(2,6-difluoro-3-methylbenzyl)-N-benzyl-2-butoxy-...) Show SMILES CCCCOc1nc(NCc2ccccc2)c2ncn(Cc3c(F)ccc(C)c3F)c2n1 Show InChI InChI=1S/C24H25F2N5O/c1-3-4-12-32-24-29-22(27-13-17-8-6-5-7-9-17)21-23(30-24)31(15-28-21)14-18-19(25)11-10-16(2)20(18)26/h5-11,15H,3-4,12-14H2,1-2H3,(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis MurI				Bioorg Med Chem Lett 18: 4368-72 (2008) Article DOI: 10.1016/j.bmcl.2008.06.068 BindingDB Entry DOI: 10.7270/Q28052D6
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori J99)	BDBM50256461 (5-phenyl-3-(thiophen-2-yl)-3H-benzo[e][1,4]diazepi...) Show SMILES NC1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1 |c:10,t:1| Show InChI InChI=1S/C19H15N3S/c20-19-18(16-11-6-12-23-16)22-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)21-19/h1-12,18H,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of MurI in wild type Helicobacter pylori J99				Bioorg Med Chem Lett 19: 930-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.113 BindingDB Entry DOI: 10.7270/Q2J38SDJ
					More data for this Ligand-Target Pair
Glutamate racemase (Streptococcus pneumoniae)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of MurI in Streptococcus pneumoniae				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair
Glutamate racemase (Streptococcus pneumoniae)	BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(17.56,4.29,;19.1,4.29,;20,5.54,;21.47,5.06,;21.47,3.52,;20,3.04,;19.53,1.58,;20.45,.33,;21.99,.33,;22.76,-1.01,;21.98,-2.34,;22.75,-3.67,;24.29,-3.67,;25.06,-2.32,;26.59,-2.32,;27.35,-.99,;26.57,.34,;27.33,1.68,;25.05,.33,;24.29,-1,;19.53,-.93,;18.06,-.45,;16.72,-1.22,;16.71,-2.76,;15.38,-3.52,;13.84,-3.53,;14.61,-4.86,;15.38,-.45,;14.05,-1.22,;15.38,1.1,;14.05,1.87,;16.72,1.88,;16.71,3.42,;18.06,1.1,;22.71,5.96,;23.96,6.86,)| Show InChI InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of MurI in Streptococcus pneumoniae				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Binding affinity to Helicobacter pylori MurI by isothermal titration calorimetry				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)

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