Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50027962 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 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
(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 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) | 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) | 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) | 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) | 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
(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) | 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
(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) | 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
(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
(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
(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
(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
(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
(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 | |
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