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PubMed code 21925884

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50354002
PNG
(CHEMBL1829287)
Show SMILES Fc1ccccc1CSc1nnc(-c2ccc3OCCOc3c2)n1-c1ccccc1
Show InChI InChI=1S/C23H18FN3O2S/c24-19-9-5-4-6-17(19)15-30-23-26-25-22(27(23)18-7-2-1-3-8-18)16-10-11-20-21(14-16)29-13-12-28-20/h1-11,14H,12-13,15H2
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n/an/a 930n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6](=O)-[#6]Cl)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50353997
PNG
(CHEMBL1829281)
Show SMILES Clc1ccccc1CSc1nnc(-c2ccc3OCCOc3c2)n1-c1ccccc1
Show InChI InChI=1S/C23H18ClN3O2S/c24-19-9-5-4-6-17(19)15-30-23-26-25-22(27(23)18-7-2-1-3-8-18)16-10-11-20-21(14-16)29-13-12-28-20/h1-11,14H,12-13,15H2
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n/an/a 1.84E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50353998
PNG
(CHEMBL1829282)
Show SMILES Clc1cccc(CSc2nnc(-c3ccc4OCCOc4c3)n2-c2ccccc2)c1
Show InChI InChI=1S/C23H18ClN3O2S/c24-18-6-4-5-16(13-18)15-30-23-26-25-22(27(23)19-7-2-1-3-8-19)17-9-10-20-21(14-17)29-12-11-28-20/h1-10,13-14H,11-12,15H2
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n/an/a 1.92E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50354003
PNG
(CHEMBL1829288)
Show SMILES Fc1ccc(CSc2nnc(-c3ccc4OCCOc4c3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C23H18FN3O2S/c24-18-9-6-16(7-10-18)15-30-23-26-25-22(27(23)19-4-2-1-3-5-19)17-8-11-20-21(14-17)29-13-12-28-20/h1-11,14H,12-13,15H2
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n/an/a 2.24E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50353999
PNG
(CHEMBL1829283)
Show SMILES Clc1ccc(CSc2nnc(-c3ccc4OCCOc4c3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C23H18ClN3O2S/c24-18-9-6-16(7-10-18)15-30-23-26-25-22(27(23)19-4-2-1-3-5-19)17-8-11-20-21(14-17)29-13-12-28-20/h1-11,14H,12-13,15H2
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n/an/a 3.45E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50354004
PNG
(CHEMBL1829289)
Show SMILES Fc1ccc(CSc2nnc(-c3ccc4OCCOc4c3)n2-c2ccccc2)c(F)c1
Show InChI InChI=1S/C23H17F2N3O2S/c24-17-8-6-16(19(25)13-17)14-31-23-27-26-22(28(23)18-4-2-1-3-5-18)15-7-9-20-21(12-15)30-11-10-29-20/h1-9,12-13H,10-11,14H2
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n/an/a 3.95E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50354005
PNG
(CHEMBL1829290)
Show SMILES Fc1cccc(F)c1CSc1nnc(-c2ccc3OCCOc3c2)n1-c1ccccc1
Show InChI InChI=1S/C23H17F2N3O2S/c24-18-7-4-8-19(25)17(18)14-31-23-27-26-22(28(23)16-5-2-1-3-6-16)15-9-10-20-21(13-15)30-12-11-29-20/h1-10,13H,11-12,14H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50354006
PNG
(CHEMBL1829291)
Show SMILES Brc1ccccc1CSc1nnc(-c2ccc3OCCOc3c2)n1-c1ccccc1
Show InChI InChI=1S/C23H18BrN3O2S/c24-19-9-5-4-6-17(19)15-30-23-26-25-22(27(23)18-7-2-1-3-8-18)16-10-11-20-21(14-16)29-13-12-28-20/h1-11,14H,12-13,15H2
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n/an/a 5.37E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50353992
PNG
(CHEMBL1829292)
Show SMILES Brc1cccc(CSc2nnc(-c3ccc4OCCOc4c3)n2-c2ccccc2)c1
Show InChI InChI=1S/C23H18BrN3O2S/c24-18-6-4-5-16(13-18)15-30-23-26-25-22(27(23)19-7-2-1-3-8-19)17-9-10-20-21(14-17)29-12-11-28-20/h1-10,13-14H,11-12,15H2
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n/an/a 5.91E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50353994
PNG
(CHEMBL1829277)
Show SMILES C(Sc1nnc(-c2ccc3OCCOc3c2)n1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19N3O2S/c1-3-7-17(8-4-1)16-29-23-25-24-22(26(23)19-9-5-2-6-10-19)18-11-12-20-21(15-18)28-14-13-27-20/h1-12,15H,13-14,16H2
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n/an/a 6.01E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50353993
PNG
(CHEMBL1828885)
Show SMILES Brc1ccc(CSc2nnc(-c3ccc4OCCOc4c3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C23H18BrN3O2S/c24-18-9-6-16(7-10-18)15-30-23-26-25-22(27(23)19-4-2-1-3-5-19)17-8-11-20-21(14-17)29-13-12-28-20/h1-11,14H,12-13,15H2
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n/an/a 7.29E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50353995
PNG
(CHEMBL1829278)
Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc(-c2ccc3OCCOc3c2)n1-c1ccccc1
Show InChI InChI=1S/C23H18N4O4S/c28-27(29)19-9-5-4-6-17(19)15-32-23-25-24-22(26(23)18-7-2-1-3-8-18)16-10-11-20-21(14-16)31-13-12-30-20/h1-11,14H,12-13,15H2
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n/an/a 1.18E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50353996
PNG
(CHEMBL1829280)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(-c3ccc4OCCOc4c3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C23H18N4O4S/c28-27(29)19-9-6-16(7-10-19)15-32-23-25-24-22(26(23)18-4-2-1-3-5-18)17-8-11-20-21(14-17)31-13-12-30-20/h1-11,14H,12-13,15H2
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n/an/a 1.24E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50354001
PNG
(CHEMBL1829285)
Show SMILES Cc1ccccc1CSc1nnc(-c2ccc3OCCOc3c2)n1-c1ccccc1
Show InChI InChI=1S/C24H21N3O2S/c1-17-7-5-6-8-19(17)16-30-24-26-25-23(27(24)20-9-3-2-4-10-20)18-11-12-21-22(15-18)29-14-13-28-21/h2-12,15H,13-14,16H2,1H3
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n/an/a 1.77E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50354000
PNG
(CHEMBL1829284)
Show SMILES COc1cccc(CSc2nnc(-c3ccc4OCCOc4c3)n2-c2ccccc2)c1
Show InChI InChI=1S/C24H21N3O3S/c1-28-20-9-5-6-17(14-20)16-31-24-26-25-23(27(24)19-7-3-2-4-8-19)18-10-11-21-22(15-18)30-13-12-29-21/h2-11,14-15H,12-13,16H2,1H3
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n/an/a 3.07E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 after 4 hrs


Bioorg Med Chem 19: 5948-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.063
BindingDB Entry DOI: 10.7270/Q28P60XC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%