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19 similar compounds to monomer 31934

Compile data set for download or QSAR
Wt: 492.9
BDBM31927
Wt: 492.9
BDBM31928
Purchase
Wt: 430.0
BDBM31958
Purchase
Wt: 506.1
BDBM31959
Wt: 506.1
BDBM31961
Wt: 490.1
BDBM31962
Wt: 480.1
BDBM31966
Wt: 543.0
BDBM31967
Wt: 414.0
BDBM31922
Purchase
Wt: 464.1
BDBM31930
Wt: 444.0
BDBM31931
Purchase
Wt: 375.2
BDBM50176384
Wt: 540.2
BDBM50428988
Wt: 482.0
BDBM50428995
Wt: 428.0
BDBM50428996
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 31927,31928,31958,31959,31961,31962,31966,31967,31922,31930,31931,50176384,50428988,50428995,50428996   
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
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31922
PNG
(carbohydrazide derivative, 3e)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C14H10Br2N2O3/c15-10-6-9(12(19)11(16)13(10)20)7-17-18-14(21)8-4-2-1-3-5-8/h1-7,19-20H,(H,18,21)/b17-7+
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PubMed
n/an/an/an/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
Histidine-rich protein


(Plasmodium falciparum)
BDBM50176384
PNG
(2-hydroxy-5-bromobenzaldehyde 4-tert-butyl-benzoyl...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NN=Cc1cc(Br)ccc1O
Show InChI InChI=1S/C18H19BrN2O2/c1-18(2,3)14-6-4-12(5-7-14)17(23)21-20-11-13-10-15(19)8-9-16(13)22/h4-11,22H,1-3H3,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
Inhibition of 1-monooleoyl glycerol induced beta-hematin formation


Bioorg Med Chem Lett 16: 31-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.058
BindingDB Entry DOI: 10.7270/Q2K35VWT
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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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))
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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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))
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))
BDBM31958
PNG
(carbohydrazide derivative, 5a)
Show SMILES Oc1ccc(cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C14H10Br2N2O4/c15-10-5-8(12(20)11(16)13(10)21)6-17-18-14(22)7-1-3-9(19)4-2-7/h1-6,19-21H,(H,18,22)
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n/an/an/an/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))
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
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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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))
BDBM31962
PNG
(carbohydrazide derivative, 5e)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C20H14Br2N2O3/c21-16-10-15(18(25)17(22)19(16)26)11-23-24-20(27)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,25-26H,(H,24,27)
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n/an/an/an/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))
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))
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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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
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50428988
PNG
(CHEMBL2333666)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C24H16Br2N2O3/c25-20-12-19(22(29)21(26)23(20)30)13-27-28-24(31)18-9-8-16-10-15(6-7-17(16)11-18)14-4-2-1-3-5-14/h1-13,29-30H,(H,28,31)/b27-13+
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n/an/an/an/a 1.80E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
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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n/an/an/an/a 2.70E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50428995
PNG
(CHEMBL2333658)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)C(F)(F)F)c(O)c1Br
Show InChI InChI=1S/C15H9Br2F3N2O3/c16-10-5-8(12(23)11(17)13(10)24)6-21-22-14(25)7-1-3-9(4-2-7)15(18,19)20/h1-6,23-24H,(H,22,25)/b21-6+
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n/an/an/an/a 2.05E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50428996
PNG
(CHEMBL2333657)
Show SMILES Cc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C15H12Br2N2O3/c1-8-2-4-9(5-3-8)15(22)19-18-7-10-6-11(16)14(21)12(17)13(10)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
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n/an/an/an/a 9.60E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
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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n/an/an/an/a 1.60E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM31962
PNG
(carbohydrazide derivative, 5e)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C20H14Br2N2O3/c21-16-10-15(18(25)17(22)19(16)26)11-23-24-20(27)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,25-26H,(H,24,27)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50428988
PNG
(CHEMBL2333666)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C24H16Br2N2O3/c25-20-12-19(22(29)21(26)23(20)30)13-27-28-24(31)18-9-8-16-10-15(6-7-17(16)11-18)14-4-2-1-3-5-14/h1-13,29-30H,(H,28,31)/b27-13+
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n/an/an/an/a 2.86E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT3 (118 to 399 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50428988
PNG
(CHEMBL2333666)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C24H16Br2N2O3/c25-20-12-19(22(29)21(26)23(20)30)13-27-28-24(31)18-9-8-16-10-15(6-7-17(16)11-18)14-4-2-1-3-5-14/h1-13,29-30H,(H,28,31)/b27-13+
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n/an/an/an/a 1.16E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of at N-terminal GST-tagged SIRT2 (34 to 356 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
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)