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14 similar compounds to monomer 50421085

Compile data set for download or QSAR
Wt: 475.9
BDBM50421086
Wt: 477.9
BDBM50421046
Wt: 476.9
BDBM50421050
Wt: 475.9
BDBM50421054
Wt: 499.9
BDBM50421055
Wt: 529.9
BDBM50421056
Wt: 501.9
BDBM50421057
Wt: 513.9
BDBM50421058
Wt: 515.9
BDBM50421059
Wt: 489.9
BDBM50421060
Wt: 599.0
BDBM50421061
Wt: 501.9
BDBM50421088
Wt: 503.9
BDBM50421062
Wt: 513.9
BDBM50421063

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50421086,50421046,50421050,50421054,50421055,50421056,50421057,50421058,50421059,50421060,50421061,50421088,50421062,50421063   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421046
PNG
(CHEMBL2087624)
Show SMILES CC(C)Cn1c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H24ClN7O2/c1-14(2)11-31-22-20(23(33)30(4)24(31)34)21(19-10-26-13-29(19)3)32(28-22)12-15-7-8-27-18-6-5-16(25)9-17(15)18/h5-10,13-14H,11-12H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421050
PNG
(CHEMBL2087841)
Show SMILES CC(C)Cn1c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cccn3C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H25ClN6O2/c1-15(2)13-31-23-21(24(33)30(4)25(31)34)22(20-6-5-11-29(20)3)32(28-23)14-16-9-10-27-19-8-7-17(26)12-18(16)19/h5-12,15H,13-14H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421054
PNG
(CHEMBL2087845)
Show SMILES Cc1[nH]cnc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C24H22ClN7O2/c1-13-20(28-12-27-13)21-19-22(31(10-14-3-4-14)24(34)30(2)23(19)33)29-32(21)11-15-7-8-26-18-6-5-16(25)9-17(15)18/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421055
PNG
(CHEMBL1652588)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C26H22ClN7O2/c1-3-10-32-25(35)22-23(21-12-28-15-31(21)2)34(30-24(22)33(26(32)36)13-16-4-5-16)14-17-8-9-29-20-7-6-18(27)11-19(17)20/h1,6-9,11-12,15-16H,4-5,10,13-14H2,2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421056
PNG
(CHEMBL2087846)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCO)c(=O)c12
Show InChI InChI=1S/C27H24ClN7O3/c1-32-16-29-13-22(32)24-23-25(31-35(24)15-18-8-9-30-21-7-6-19(28)12-20(18)21)34(14-17-4-5-17)27(38)33(26(23)37)10-2-3-11-36/h6-9,12-13,16-17,36H,4-5,10-11,14-15H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421057
PNG
(CHEMBL2087847)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C26H24ClN7O2/c1-3-10-32-25(35)22-23(21-12-28-15-31(21)2)34(30-24(22)33(26(32)36)13-16-4-5-16)14-17-8-9-29-20-7-6-18(27)11-19(17)20/h3,6-9,11-12,15-16H,1,4-5,10,13-14H2,2H3
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n/an/a 56n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421088
PNG
(CHEMBL2087851)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12
Show InChI InChI=1S/C26H24ClN7O2/c1-31-14-28-11-21(31)23-22-24(32(12-15-2-3-15)26(36)34(25(22)35)18-5-6-18)30-33(23)13-16-8-9-29-20-7-4-17(27)10-19(16)20/h4,7-11,14-15,18H,2-3,5-6,12-13H2,1H3
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421059
PNG
(CHEMBL2087849)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12
Show InChI InChI=1S/C27H26ClN7O2/c1-32-15-29-11-22(32)24-23-25(31-35(24)14-18-8-9-30-21-7-6-19(28)10-20(18)21)33(12-16-2-3-16)27(37)34(26(23)36)13-17-4-5-17/h6-11,15-17H,2-5,12-14H2,1H3
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n/an/a 69n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421060
PNG
(CHEMBL2087850)
Show SMILES CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O
Show InChI InChI=1S/C25H24ClN7O2/c1-3-31-24(34)21-22(20-11-27-14-30(20)2)33(29-23(21)32(25(31)35)12-15-4-5-15)13-16-8-9-28-19-7-6-17(26)10-18(16)19/h6-11,14-15H,3-5,12-13H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421061
PNG
(CHEMBL2087852)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCN3CCOCC3)c(=O)c12
Show InChI InChI=1S/C31H31ClN8O3/c1-36-20-33-17-26(36)28-27-29(35-40(28)19-22-8-9-34-25-7-6-23(32)16-24(22)25)39(18-21-4-5-21)31(42)38(30(27)41)11-3-2-10-37-12-14-43-15-13-37/h6-9,16-17,20-21H,4-5,10-15,18-19H2,1H3
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n/an/a 170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421062
PNG
(CHEMBL2087853)
Show SMILES CC(C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O
Show InChI InChI=1S/C26H26ClN7O2/c1-15(2)34-25(35)22-23(21-11-28-14-31(21)3)33(30-24(22)32(26(34)36)12-16-4-5-16)13-17-8-9-29-20-7-6-18(27)10-19(17)20/h6-11,14-16H,4-5,12-13H2,1-3H3
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n/an/a 220n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421063
PNG
(CHEMBL2087854)
Show SMILES CC(C#C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O
Show InChI InChI=1S/C27H24ClN7O2/c1-4-16(2)35-26(36)23-24(22-12-29-15-32(22)3)34(31-25(23)33(27(35)37)13-17-5-6-17)14-18-9-10-30-21-8-7-19(28)11-20(18)21/h1,7-12,15-17H,5-6,13-14H2,2-3H3
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421086
PNG
(CHEMBL2087620)
Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C24H22ClN7O2/c1-29-13-26-10-19(29)21-20-22(31(11-14-3-4-14)24(34)30(2)23(20)33)28-32(21)12-15-7-8-27-18-6-5-16(25)9-17(15)18/h5-10,13-14H,3-4,11-12H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421058
PNG
(CHEMBL2087848)
Show SMILES CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O
Show InChI InChI=1S/C27H24ClN7O2/c1-3-4-11-33-26(36)23-24(22-13-29-16-32(22)2)35(31-25(23)34(27(33)37)14-17-5-6-17)15-18-9-10-30-21-8-7-19(28)12-20(18)21/h7-10,12-13,16-17H,5-6,11,14-15H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.004
BindingDB Entry DOI: 10.7270/Q2NZ88XM
More data for this
Ligand-Target Pair