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Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'mattern' and Initial = 'm'   
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))
BDBM17428
PNG
(1,2,4-Triazole Compound, 86 | N-[5-(benzylsulfanyl...)
Show SMILES C(Sc1nnc(Nc2cccnc2)[nH]1)c1ccccc1
Show InChI InChI=1S/C14H13N5S/c1-2-5-11(6-3-1)10-20-14-17-13(18-19-14)16-12-7-4-8-15-9-12/h1-9H,10H2,(H2,16,17,18,19)
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0.0400n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17355
PNG
(1,2,4-Triazole Compound, 13 | 5-(benzylsulfanyl)-N...)
Show SMILES Cc1ccccc1Nc1nnc(SCc2ccccc2)[nH]1
Show InChI InChI=1S/C16H16N4S/c1-12-7-5-6-10-14(12)17-15-18-16(20-19-15)21-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18,19,20)
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0.0400 -58.8n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17388
PNG
(1,2,4-Triazole Compound, 46 | 5-(benzylsulfanyl)-N...)
Show SMILES COc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C16H16N4OS/c1-21-14-9-7-13(8-10-14)17-15-18-16(20-19-15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,20)
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0.0500n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17365
PNG
(1,2,4-Triazole Compound, 23 | 5-(benzylsulfanyl)-N...)
Show SMILES Cc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C16H16N4S/c1-12-7-9-14(10-8-12)17-15-18-16(20-19-15)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,17,18,19,20)
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0.0700 -57.4n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17390
PNG
(1,2,4-Triazole Compound, 48 | 5-{[(2-fluorophenyl)...)
Show SMILES COc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
Show InChI InChI=1S/C16H15FN4OS/c1-22-13-8-6-12(7-9-13)18-15-19-16(21-20-15)23-10-11-4-2-3-5-14(11)17/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.130n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17362
PNG
(1,2,4-Triazole Compound, 20 | 5-[(3-methylbut-2-en...)
Show SMILES CC(C)=CCSc1nnc(Nc2ccccc2C)[nH]1 |(5.94,4.3,;4.59,5.03,;4.55,6.57,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-8.21,3.37,;-2.04,3.24,)|
Show InChI InChI=1S/C14H18N4S/c1-10(2)8-9-19-14-16-13(17-18-14)15-12-7-5-4-6-11(12)3/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
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0.150 -55.5n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17395
PNG
(1,2,4-Triazole Compound, 53 | N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1 |(-9.75,8.7,;-8.21,8.7,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.51,5.15,;5.93,4.55,;4.32,6.68,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,)|
Show InChI InChI=1S/C14H18N4OS/c1-10(2)8-9-20-14-16-13(17-18-14)15-11-4-6-12(19-3)7-5-11/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
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0.160n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17358
PNG
(1,2,4-Triazole Compound, 16 | 5-{[(2-fluorophenyl)...)
Show SMILES Cc1ccccc1Nc1nnc(SCc2ccccc2F)[nH]1
Show InChI InChI=1S/C16H15FN4S/c1-11-6-2-5-9-14(11)18-15-19-16(21-20-15)22-10-12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.230 -54.5n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17430
PNG
(1,2,4-Triazole Compound, 88 | N-(5-{[(2-fluorophen...)
Show SMILES Fc1ccccc1CSc1nnc(Nc2cccnc2)[nH]1
Show InChI InChI=1S/C14H12FN5S/c15-12-6-2-1-4-10(12)9-21-14-18-13(19-20-14)17-11-5-3-7-16-8-11/h1-8H,9H2,(H2,17,18,19,20)
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0.300n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50028040
PNG
(CHEMBL3338846)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccc2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H24N4O3/c1-17-11-19(14-27-13-17)20-12-22(24(28-15-20)18-7-5-4-6-8-18)25(31)29-16-21-9-10-23(32-2)26(30-21)33-3/h4-15H,16H2,1-3H3,(H,29,31)
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50028045
PNG
(CHEMBL3338852)
Show SMILES COc1ccc(CNC(=O)c2cc(ccc2-c2ccccc2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C27H25N3O3/c1-18-13-21(16-28-15-18)20-9-11-23(19-7-5-4-6-8-19)24(14-20)26(31)29-17-22-10-12-25(32-2)27(30-22)33-3/h4-16H,17H2,1-3H3,(H,29,31)
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17411
PNG
(1,2,4-Triazole Compound, 69 | methyl 4-[(5-{[(2-fl...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
Show InChI InChI=1S/C17H15FN4O2S/c1-24-15(23)11-6-8-13(9-7-11)19-16-20-17(22-21-16)25-10-12-4-2-3-5-14(12)18/h2-9H,10H2,1H3,(H2,19,20,21,22)
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0.410n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17377
PNG
(1,2,4-Triazole Compound, 35 | 5-(benzylsulfanyl)-N...)
Show SMILES Clc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C15H13ClN4S/c16-12-6-8-13(9-7-12)17-14-18-15(20-19-14)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,19,20)
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0.430n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106968
PNG
(US8592457, 1-5)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2ccccc2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H24N4O3/c1-17-11-19(14-27-13-17)23-12-21(22(16-28-23)18-7-5-4-6-8-18)25(31)29-15-20-9-10-24(32-2)26(30-20)33-3/h4-14,16H,15H2,1-3H3,(H,29,31)
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17431
PNG
(1,2,4-Triazole Compound, 89 | N-(5-{[(3,4-difluoro...)
Show SMILES Fc1ccc(CSc2nnc(Nc3cccnc3)[nH]2)cc1F
Show InChI InChI=1S/C14H11F2N5S/c15-11-4-3-9(6-12(11)16)8-22-14-19-13(20-21-14)18-10-2-1-5-17-7-10/h1-7H,8H2,(H2,18,19,20,21)
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0.5n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17416
PNG
(1,2,4-Triazole Compound, 74 | methyl 4-({5-[(3-met...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1 |(-10.52,10.03,;-9.75,8.7,;-8.21,8.7,;-7.44,10.03,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.42,5.25,;5.89,4.78,;4.1,6.76,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,)|
Show InChI InChI=1S/C15H18N4O2S/c1-10(2)8-9-22-15-17-14(18-19-15)16-12-6-4-11(5-7-12)13(20)21-3/h4-8H,9H2,1-3H3,(H2,16,17,18,19)
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0.5n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17352
PNG
(1,2,4-Triazole Compound, 6 | 5-(benzylsulfanyl)-N-...)
Show SMILES C(Sc1nnc(Nc2ccccc2)[nH]1)c1ccccc1
Show InChI InChI=1S/C15H14N4S/c1-3-7-12(8-4-1)11-20-15-17-14(18-19-15)16-13-9-5-2-6-10-13/h1-10H,11H2,(H2,16,17,18,19)
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0.5 -52.6n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17385
PNG
(1,2,4-Triazole Compound, 43 | N-(4-chlorophenyl)-5...)
Show SMILES CC(C)=CCSc1nnc(Nc2ccc(Cl)cc2)[nH]1 |(5.94,4.35,;4.57,5.06,;4.5,6.59,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,8.7,;-8.21,6.03,;-7.44,4.7,;-2.04,3.24,)|
Show InChI InChI=1S/C13H15ClN4S/c1-9(2)7-8-19-13-16-12(17-18-13)15-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H2,15,16,17,18)
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0.520n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17380
PNG
(1,2,4-Triazole Compound, 38 | N-(4-chlorophenyl)-5...)
Show SMILES Fc1ccccc1CSc1nnc(Nc2ccc(Cl)cc2)[nH]1
Show InChI InChI=1S/C15H12ClFN4S/c16-11-5-7-12(8-6-11)18-14-19-15(21-20-14)22-9-10-3-1-2-4-13(10)17/h1-8H,9H2,(H2,18,19,20,21)
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0.610n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17368
PNG
(1,2,4-Triazole Compound, 26 | 5-{[(2-fluorophenyl)...)
Show SMILES Cc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
Show InChI InChI=1S/C16H15FN4S/c1-11-6-8-13(9-7-11)18-15-19-16(21-20-15)22-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.650 -51.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17408
PNG
(1,2,4-Triazole Compound, 66 | methyl 4-{[5-(benzyl...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C17H16N4O2S/c1-23-15(22)13-7-9-14(10-8-13)18-16-19-17(21-20-16)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,18,19,20,21)
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0.700n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106968
PNG
(US8592457, 1-5)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2ccccc2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H24N4O3/c1-17-11-19(14-27-13-17)23-12-21(22(16-28-23)18-7-5-4-6-8-18)25(31)29-15-20-9-10-24(32-2)26(30-20)33-3/h4-14,16H,15H2,1-3H3,(H,29,31)
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US Patent
0.720 -54.3n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17354
PNG
(1,2,4-Triazole Compound, 12 | N-phenyl-5-[(thiophe...)
Show SMILES C(Sc1nnc(Nc2ccccc2)[nH]1)c1cccs1
Show InChI InChI=1S/C13H12N4S2/c1-2-5-10(6-3-1)14-12-15-13(17-16-12)19-9-11-7-4-8-18-11/h1-8H,9H2,(H2,14,15,16,17)
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0.75 -51.6n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17418
PNG
(1,2,4-Triazole Compound, 76 | methyl 4-[(5-{[(5-me...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3cc(C)on3)[nH]2)cc1
Show InChI InChI=1S/C15H15N5O3S/c1-9-7-12(20-23-9)8-24-15-17-14(18-19-15)16-11-5-3-10(4-6-11)13(21)22-2/h3-7H,8H2,1-2H3,(H2,16,17,18,19)
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0.800n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17405
PNG
(1,2,4-Triazole Compound, 63 | N-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1OC |(-9.75,8.7,;-8.21,8.7,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.42,5.25,;5.89,4.78,;4.1,6.76,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,;-5.13,8.7,;-5.9,10.03,)|
Show InChI InChI=1S/C15H20N4O2S/c1-10(2)7-8-22-15-17-14(18-19-15)16-11-5-6-12(20-3)13(9-11)21-4/h5-7,9H,8H2,1-4H3,(H2,16,17,18,19)
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0.900n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106970
PNG
(US8592457, 1-16)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H23FN4O3/c1-16-9-18(13-28-12-16)23-11-21(22(15-29-23)17-5-4-6-19(27)10-17)25(32)30-14-20-7-8-24(33-2)26(31-20)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17414
PNG
(1,2,4-Triazole Compound, 72 | methyl 4-({5-[(pyrid...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccncc3)[nH]2)cc1
Show InChI InChI=1S/C16H15N5O2S/c1-23-14(22)12-2-4-13(5-3-12)18-15-19-16(21-20-15)24-10-11-6-8-17-9-7-11/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.900n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17413
PNG
(1,2,4-Triazole Compound, 71 | methyl 4-({5-[(pyrid...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccccn3)[nH]2)cc1
Show InChI InChI=1S/C16H15N5O2S/c1-23-14(22)11-5-7-12(8-6-11)18-15-19-16(21-20-15)24-10-13-4-2-3-9-17-13/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.900n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106970
PNG
(US8592457, 1-16)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H23FN4O3/c1-16-9-18(13-28-12-16)23-11-21(22(15-29-23)17-5-4-6-19(27)10-17)25(32)30-14-20-7-8-24(33-2)26(31-20)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
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US Patent
0.910 -53.7n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106971
PNG
(US8592457, 7-5)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
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US Patent
0.950 -53.6n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106972
PNG
(US8592457, 7-7)
Show SMILES COc1nc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)ccc1C1CC1
Show InChI InChI=1S/C25H23N5O2S/c1-15-9-17(12-26-11-15)22-10-20(21(14-28-22)25-27-7-8-33-25)23(31)29-13-18-5-6-19(16-3-4-16)24(30-18)32-2/h5-12,14,16H,3-4,13H2,1-2H3,(H,29,31)
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0.970 -53.5n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17442
PNG
(1,2,4-Triazole Compound, 101 | 5-[(3-methylbut-2-e...)
Show SMILES CC(C)=CCSc1nnc(Nc2ccccc2)[nH]1 |(4.43,-.32,;3.66,1.01,;4.74,2.1,;2.12,1.01,;1.35,2.34,;-.19,2.34,;-1.1,3.59,;-.62,5.05,;-1.87,5.96,;-3.12,5.05,;-4.6,5.45,;-5.69,4.36,;-7.21,4.64,;-8.2,3.47,;-7.69,2.02,;-6.17,1.74,;-5.17,2.91,;-2.64,3.59,)|
Show InChI InChI=1S/C13H16N4S/c1-10(2)8-9-18-13-15-12(16-17-13)14-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H2,14,15,16,17)
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1n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17468
PNG
(1,2,3-triazole analogue, 24 | 5-(3,4-dibromophenyl...)
Show SMILES Brc1ccc(cc1Br)-c1c[nH]nn1
Show InChI InChI=1S/C8H5Br2N3/c9-6-2-1-5(3-7(6)10)8-4-11-13-12-8/h1-4H,(H,11,12,13)
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1 -50.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
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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1n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17461
PNG
(1,2,3-triazole analogue, 17 | 5-(4-iodophenyl)-1H-...)
Show SMILES Ic1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6IN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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1 -50.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106971
PNG
(US8592457, 7-5)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
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1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17373
PNG
(1,2,4-Triazole Compound, 31 | 5-[(3-methylbut-2-en...)
Show SMILES CC(C)=CCSc1nnc(Nc2ccc(C)cc2)[nH]1 |(5.89,4.78,;4.42,5.25,;4.42,6.79,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,8.7,;-8.21,6.03,;-7.44,4.7,;-2.04,3.24,)|
Show InChI InChI=1S/C14H18N4S/c1-10(2)8-9-19-14-16-13(17-18-14)15-12-6-4-11(3)5-7-12/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
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1.20n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17400
PNG
(1,2,4-Triazole Compound, 58 | N-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1OC
Show InChI InChI=1S/C17H17FN4O2S/c1-23-14-8-7-12(9-15(14)24-2)19-16-20-17(22-21-16)25-10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H2,19,20,21,22)
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1.30n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17412
PNG
(1,2,4-Triazole Compound, 70 | methyl 4-[(5-{[(3,4-...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1
Show InChI InChI=1S/C17H14F2N4O2S/c1-25-15(24)11-3-5-12(6-4-11)20-16-21-17(23-22-16)26-9-10-2-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H2,20,21,22,23)
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1.30n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50028049
PNG
(CHEMBL3338857)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2ccccn2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C25H23N5O3/c1-16-10-17(13-26-12-16)22-11-19(20(15-28-22)21-6-4-5-9-27-21)24(31)29-14-18-7-8-23(32-2)25(30-18)33-3/h4-13,15H,14H2,1-3H3,(H,29,31)
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50028048
PNG
(CHEMBL3338855)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2ccccc2F)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H23FN4O3/c1-16-10-17(13-28-12-16)23-11-20(21(15-29-23)19-6-4-5-7-22(19)27)25(32)30-14-18-8-9-24(33-2)26(31-18)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50028042
PNG
(CHEMBL3338849)
Show SMILES COc1ccc(CNC(=O)c2nc(cnc2-c2ccccc2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C25H23N5O3/c1-16-11-18(13-26-12-16)20-15-27-22(17-7-5-4-6-8-17)23(30-20)24(31)28-14-19-9-10-21(32-2)25(29-19)33-3/h4-13,15H,14H2,1-3H3,(H,28,31)
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17436
PNG
(1,2,4-Triazole Compound, 94 | N-(5-{[(5-methyl-1,2...)
Show SMILES Cc1cc(CSc2nnc(Nc3cccnc3)[nH]2)no1
Show InChI InChI=1S/C12H12N6OS/c1-8-5-10(18-19-8)7-20-12-15-11(16-17-12)14-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H2,14,15,16,17)
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1.5n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17381
PNG
(1,2,4-Triazole Compound, 39 | N-(4-chlorophenyl)-5...)
Show SMILES Fc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1F
Show InChI InChI=1S/C15H11ClF2N4S/c16-10-2-4-11(5-3-10)19-14-20-15(22-21-14)23-8-9-1-6-12(17)13(18)7-9/h1-7H,8H2,(H2,19,20,21,22)
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1.5n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17396
PNG
(1,2,4-Triazole Compound, 54 | N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(Nc2nnc(SCc3cc(C)on3)[nH]2)cc1
Show InChI InChI=1S/C14H15N5O2S/c1-9-7-11(19-21-9)8-22-14-16-13(17-18-14)15-10-3-5-12(20-2)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17,18)
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1.60n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17429
PNG
(1,2,4-Triazole Compound, 87 | N-(5-{[(2-methylphen...)
Show SMILES Cc1ccccc1CSc1nnc(Nc2cccnc2)[nH]1
Show InChI InChI=1S/C15H15N5S/c1-11-5-2-3-6-12(11)10-21-15-18-14(19-20-15)17-13-7-4-8-16-9-13/h2-9H,10H2,1H3,(H2,17,18,19,20)
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1.70n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17397
PNG
(1,2,4-Triazole Compound, 55 | 5-(benzylsulfanyl)-N...)
Show SMILES COc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1OC
Show InChI InChI=1S/C17H18N4O2S/c1-22-14-9-8-13(10-15(14)23-2)18-16-19-17(21-20-16)24-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,18,19,20,21)
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1.70n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17387
PNG
(1,2,4-Triazole Compound, 45 | N-(4-chlorophenyl)-5...)
Show SMILES Cc1cc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)no1
Show InChI InChI=1S/C13H12ClN5OS/c1-8-6-11(19-20-8)7-21-13-16-12(17-18-13)15-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H2,15,16,17,18)
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1.80n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17443
PNG
(1,2,4-Triazole Compound, 102 | N-[2-(propan-2-yl)p...)
Show SMILES CC(C)c1ccccc1Nc1nnc(SCc2cccs2)[nH]1
Show InChI InChI=1S/C16H18N4S2/c1-11(2)13-7-3-4-8-14(13)17-15-18-16(20-19-15)22-10-12-6-5-9-21-12/h3-9,11H,10H2,1-2H3,(H2,17,18,19,20)
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2n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17391
PNG
(1,2,4-Triazole Compound, 49 | 5-{[(3,4-difluorophe...)
Show SMILES COc1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1
Show InChI InChI=1S/C16H14F2N4OS/c1-23-12-5-3-11(4-6-12)19-15-20-16(22-21-15)24-9-10-2-7-13(17)14(18)8-10/h2-8H,9H2,1H3,(H2,19,20,21,22)
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2.10n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
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