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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Glutamate racemase' AND taxid = 85962   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Glutamate racemase


(Helicobacter pylori)
BDBM26431
PNG
((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
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5.80E+3n/an/an/an/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori glutamate racemase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase


(Helicobacter pylori)
BDBM50261965
PNG
(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)S(N)(=O)=O
Show InChI InChI=1S/C25H24ClN7O4S/c1-30-13-17(38(27,36)37)10-20(30)22-21-23(32(11-14-3-4-14)25(35)31(2)24(21)34)29-33(22)12-15-7-8-28-19-6-5-16(26)9-18(15)19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,27,36,37)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262113
PNG
(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylm...)
Show SMILES Cn1cc(cc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O
Show InChI InChI=1S/C25H25ClN6O3S/c1-29-13-17(36(3)35)9-20(29)22-21-23(31(11-14-4-5-14)25(34)30(2)24(21)33)28-32(22)12-15-10-27-19-7-6-16(26)8-18(15)19/h6-10,13-14,27H,4-5,11-12H2,1-3H3
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50215445
PNG
(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
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
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori glutamate racemase


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50215445
PNG
(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
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
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262115
PNG
(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylm...)
Show SMILES Cn1cc(cc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25ClN6O4S/c1-29-13-17(37(3,35)36)9-20(29)22-21-23(31(11-14-4-5-14)25(34)30(2)24(21)33)28-32(22)12-15-10-27-19-7-6-16(26)8-18(15)19/h6-10,13-14,27H,4-5,11-12H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262011
PNG
(5-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cycloprop...)
Show SMILES CNS(=O)(=O)c1cc(-c2n(Cc3c[nH]c4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1
Show InChI InChI=1S/C25H26ClN7O4S/c1-27-38(36,37)17-9-20(30(2)13-17)22-21-23(32(11-14-4-5-14)25(35)31(3)24(21)34)29-33(22)12-15-10-28-19-7-6-16(26)8-18(15)19/h6-10,13-14,27-28H,4-5,11-12H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262060
PNG
(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylm...)
Show SMILES Cn1cc(nc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C24H24ClN7O4S/c1-29-12-18(37(3,35)36)27-22(29)20-19-21(31(10-13-4-5-13)24(34)30(2)23(19)33)28-32(20)11-14-9-26-17-7-6-15(25)8-16(14)17/h6-9,12-13,26H,4-5,10-11H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262163
PNG
(2-((5-chloro-1-methyl-1H-indol-3-yl)methyl)-7-(cyc...)
Show SMILES Cn1cc(cc1-c1n(Cc2cn(C)c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H27ClN6O4S/c1-29-12-16(19-9-17(27)7-8-20(19)29)13-33-23(21-10-18(14-30(21)2)38(4,36)37)22-24(28-33)32(11-15-5-6-15)26(35)31(3)25(22)34/h7-10,12,14-15H,5-6,11,13H2,1-4H3
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262114
PNG
(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylme...)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H25ClN6O4S/c1-30-14-18(38(3,36)37)11-21(30)23-22-24(32(12-15-4-5-15)26(35)31(2)25(22)34)29-33(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15H,4-5,12-13H2,1-3H3
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n/an/a 34n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262012
PNG
(5-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cycloprop...)
Show SMILES CONS(=O)(=O)c1cc(-c2n(Cc3c[nH]c4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1
Show InChI InChI=1S/C25H26ClN7O5S/c1-30-13-17(39(36,37)29-38-3)9-20(30)22-21-23(32(11-14-4-5-14)25(35)31(2)24(21)34)28-33(22)12-15-10-27-19-7-6-16(26)8-18(15)19/h6-10,13-14,27,29H,4-5,11-12H2,1-3H3
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262061
PNG
(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylme...)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O
Show InChI InChI=1S/C26H25ClN6O3S/c1-30-14-18(37(3)36)11-21(30)23-22-24(32(12-15-4-5-15)26(35)31(2)25(22)34)29-33(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15H,4-5,12-13H2,1-3H3
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n/an/a 37n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50261964
PNG
(2-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cycloprop...)
Show SMILES Cn1cc(nc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(N)(=O)=O
Show InChI InChI=1S/C23H23ClN8O4S/c1-29-11-17(37(25,35)36)27-21(29)19-18-20(31(9-12-3-4-12)23(34)30(2)22(18)33)28-32(19)10-13-8-26-16-6-5-14(24)7-15(13)16/h5-8,11-12,26H,3-4,9-10H2,1-2H3,(H2,25,35,36)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50261966
PNG
(5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...)
Show SMILES CNS(=O)(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1
Show InChI InChI=1S/C26H26ClN7O4S/c1-28-39(37,38)18-11-21(31(2)14-18)23-22-24(33(12-15-4-5-15)26(36)32(3)25(22)35)30-34(23)13-16-8-9-29-20-7-6-17(27)10-19(16)20/h6-11,14-15,28H,4-5,12-13H2,1-3H3
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n/an/a 44n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50261912
PNG
(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylme...)
Show SMILES Cc1oc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H24ClN5O5S/c1-14-18(11-21(37-14)38(3,35)36)23-22-24(31(12-15-4-5-15)26(34)30(2)25(22)33)29-32(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,15H,4-5,12-13H2,1-3H3
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262013
PNG
(5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...)
Show SMILES CONS(=O)(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1
Show InChI InChI=1S/C26H26ClN7O5S/c1-31-14-18(40(37,38)30-39-3)11-21(31)23-22-24(33(12-15-4-5-15)26(36)32(2)25(22)35)29-34(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15,30H,4-5,12-13H2,1-3H3
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50261913
PNG
(2-((5-chloro-1-methyl-1H-indol-3-yl)methyl)-7-(cyc...)
Show SMILES Cc1oc(cc1-c1n(Cc2cn(C)c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H26ClN5O5S/c1-14-18(10-21(37-14)38(4,35)36)23-22-24(31(11-15-5-6-15)26(34)30(3)25(22)33)28-32(23)13-16-12-29(2)20-8-7-17(27)9-19(16)20/h7-10,12,15H,5-6,11,13H2,1-4H3
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50261911
PNG
(3-(3-chloro-5-(methylsulfonyl)furan-2-yl)-2-((6-ch...)
Show SMILES Cn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3oc(cc3Cl)S(C)(=O)=O)c2c1=O
Show InChI InChI=1S/C25H21Cl2N5O5S/c1-30-24(33)20-21(22-17(27)10-19(37-22)38(2,35)36)32(29-23(20)31(25(30)34)11-13-3-4-13)12-14-7-8-28-18-6-5-15(26)9-16(14)18/h5-10,13H,3-4,11-12H2,1-2H3
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n/an/a 59n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50262059
PNG
(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylme...)
Show SMILES Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H24ClN7O4S/c1-30-13-19(38(3,36)37)28-23(30)21-20-22(32(11-14-4-5-14)25(35)31(2)24(20)34)29-33(21)12-15-8-9-27-18-7-6-16(26)10-17(15)18/h6-10,13-14H,4-5,11-12H2,1-3H3
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50215444
PNG
(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
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase


(Helicobacter pylori)
BDBM50215444
PNG
(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
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori glutamate racemase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase


(Helicobacter pylori)
BDBM50261801
PNG
(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylme...)
Show SMILES Cn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3ccc(o3)S(C)(=O)=O)c2c1=O
Show InChI InChI=1S/C25H22ClN5O5S/c1-29-24(32)21-22(19-7-8-20(36-19)37(2,34)35)31(28-23(21)30(25(29)33)12-14-3-4-14)13-15-9-10-27-18-6-5-16(26)11-17(15)18/h5-11,14H,3-4,12-13H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50215444
PNG
(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
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n/an/an/a 3.90E+3n/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase


(Helicobacter pylori)
BDBM50215445
PNG
(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
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
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n/an/an/a 25n/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay


Citation and Details
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori)
BDBM50215444
PNG
(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
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n/an/an/a 2.90E+3n/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to Helicobacter pylori MurI by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)