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Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 3978   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31965
PNG
(carbohydrazide derivative, 5h)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C18H12Br2N2O4/c19-13-6-11(16(24)15(20)17(13)25)8-21-22-18(26)12-5-9-3-1-2-4-10(9)7-14(12)23/h1-8,23-25H,(H,22,26)
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PubMed
n/an/a 860n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31930
PNG
(carbohydrazide derivative, 3m)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br
Show InChI InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+
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PubMed
n/an/a 1.42E+3n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31927
PNG
(carbohydrazide derivative, 3j)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Br)cc2)c(O)c1Br
Show InChI InChI=1S/C14H9Br3N2O3/c15-9-3-1-7(2-4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
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PubMed
n/an/a 1.50E+3n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31934
PNG
(carbohydrazide derivative, 3q)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C18H18Br2N2O3/c1-18(2,3)12-6-4-10(5-7-12)17(25)22-21-9-11-8-13(19)16(24)14(20)15(11)23/h4-9,23-24H,1-3H3,(H,22,25)/b21-9+
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PubMed
n/an/a 1.52E+3n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31926
PNG
(carbohydrazide derivative, 3i)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1Br
Show InChI InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+
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PubMed
n/an/a 1.52E+3n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31964
PNG
(carbohydrazide derivative, 5g)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc3ccccc3c2O)c(O)c1Br
Show InChI InChI=1S/C18H12Br2N2O4/c19-13-7-10(15(23)14(20)17(13)25)8-21-22-18(26)12-6-5-9-3-1-2-4-11(9)16(12)24/h1-8,23-25H,(H,22,26)
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PubMed
n/an/a 1.97E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31928
PNG
(carbohydrazide derivative, 3k)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2cccc(Br)c2)c(O)c1Br
Show InChI InChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
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PubMed
n/an/a 1.98E+3n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31960
PNG
(carbohydrazide derivative, 5c)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(O)c1Br
Show InChI InChI=1S/C16H8Br2F6N2O3/c17-10-3-7(12(27)11(18)13(10)28)5-25-26-14(29)6-1-8(15(19,20)21)4-9(2-6)16(22,23)24/h1-5,27-28H,(H,26,29)
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PubMed
n/an/a 2.13E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31967
PNG
(carbohydrazide derivative, 5j)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc3cc(Br)ccc3c2)c(O)c1Br
Show InChI InChI=1S/C18H11Br3N2O3/c19-13-4-3-9-5-11(2-1-10(9)6-13)18(26)23-22-8-12-7-14(20)17(25)15(21)16(12)24/h1-8,24-25H,(H,23,26)
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PubMed
n/an/a 3.55E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31963
PNG
(carbohydrazide derivative, 5f)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br
Show InChI InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)
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n/an/a 3.75E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31925
PNG
(carbohydrazide derivative, 3h)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(F)cc2)c(O)c1Br
Show InChI InChI=1S/C14H9Br2FN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+
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PubMed
n/an/a 6.43E+3n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31966
PNG
(carbohydrazide derivative, 5i)
Show SMILES Oc1ccc2cc(ccc2c1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C18H12Br2N2O4/c19-14-7-12(16(24)15(20)17(14)25)8-21-22-18(26)11-2-1-10-6-13(23)4-3-9(10)5-11/h1-8,23-25H,(H,22,26)
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n/an/a 8.77E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31931
PNG
(carbohydrazide derivative, 3n)
Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
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n/an/a 9.92E+3n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31961
PNG
(carbohydrazide derivative, 5d)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc(Oc3ccccc3)cc2)c(O)c1Br
Show InChI InChI=1S/C20H14Br2N2O4/c21-16-10-13(18(25)17(22)19(16)26)11-23-24-20(27)12-6-8-15(9-7-12)28-14-4-2-1-3-5-14/h1-11,25-26H,(H,24,27)
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PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31917
PNG
(carbohydrazide derivative, 1)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2cccnc2)c(O)c1Br
Show InChI InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+
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n/an/a 3.98E+4n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31959
PNG
(carbohydrazide derivative, 5b)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C20H14Br2N2O4/c21-16-9-14(18(26)17(22)19(16)27)10-23-24-20(28)13-3-1-11(2-4-13)12-5-7-15(25)8-6-12/h1-10,25-27H,(H,24,28)
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n/an/a 4.27E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair