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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 401.8
BDBM17446
Purchase
Wt: 343.2
BDBM81353
Wt: 358.4
BDBM81354
Wt: 282.3
BDBM81355
Wt: 278.3
BDBM50194621
Wt: 264.3
BDBM50194623

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 14 hits in this display   
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))
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl
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 (crystal)
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl
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 1n/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Med Chem 49: 5645-8 (2006)


Article DOI: 10.1021/jm060559v
BindingDB Entry DOI: 10.7270/Q2PN959W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl
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 1n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of methionine aminopeptidase 2


J Nat Prod 72: 588-603 (2010)


Article DOI: 10.1021/np800817y
BindingDB Entry DOI: 10.7270/Q2765G84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl
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 (crystal)
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl
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 1.32E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 (unknown origin) after 4 hrs


Bioorg Med Chem Lett 23: 2876-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.068
BindingDB Entry DOI: 10.7270/Q2G44RPX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase (MetAP2)


(Plasmodium falciparum)
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl
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 2.00E+3n/an/an/an/an/an/a



Johns Hopkins School of Medicine



Assay Description
Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).


Chem Biol 16: 193-202 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.006
BindingDB Entry DOI: 10.7270/Q2WS8RQ5
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50194621
PNG
(6S-(1'R,2'R-1',5'-dimethyl-1',2'-oxiranyl-4'-hexen...)
Show SMILES CO[C@@]12C([C@@]3(C)O[C@@H]3CC=C(C)C)[C@@]1(CCC2=O)C=O
Show InChI InChI=1S/C16H22O4/c1-10(2)5-6-12-14(3,20-12)13-15(9-17)8-7-11(18)16(13,15)19-4/h5,9,12-13H,6-8H2,1-4H3/t12-,13?,14+,15-,16+/m1/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Med Chem 49: 5645-8 (2006)


Article DOI: 10.1021/jm060559v
BindingDB Entry DOI: 10.7270/Q2PN959W
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50194623
PNG
((1S,5S,6R,E)-5-(hydroxymethyl)-1-methoxy-6-(6-meth...)
Show SMILES CO[C@@]12C(\C(C)=C\CC=C(C)C)[C@]1(CO)CCC2=O
Show InChI InChI=1S/C16H24O3/c1-11(2)6-5-7-12(3)14-15(10-17)9-8-13(18)16(14,15)19-4/h6-7,14,17H,5,8-10H2,1-4H3/b12-7+/t14?,15-,16+/m1/s1
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n/an/a 3.38E+4n/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Med Chem 49: 5645-8 (2006)


Article DOI: 10.1021/jm060559v
BindingDB Entry DOI: 10.7270/Q2PN959W
More data for this
Ligand-Target Pair
Methionine aminopeptidase (MetAP1)


(Plasmodium falciparum)
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl
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>3.00E+5n/an/an/an/an/an/a



Johns Hopkins School of Medicine



Assay Description
Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).


Chem Biol 16: 193-202 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.006
BindingDB Entry DOI: 10.7270/Q2WS8RQ5
More data for this
Ligand-Target Pair
Methionine aminopeptidase (MetAP2)


(Plasmodium falciparum)
BDBM81354
PNG
(Fumarranol Analog, 9)
Show SMILES CO[C@@]12C([C@@]3(C)O[C@@H]3CC=C(C)C)[C@]1(CO)C\C(=C/c1ccco1)C2=O
Show InChI InChI=1S/C21H26O5/c1-13(2)7-8-16-19(3,26-16)18-20(12-22)11-14(10-15-6-5-9-25-15)17(23)21(18,20)24-4/h5-7,9-10,16,18,22H,8,11-12H2,1-4H3/b14-10+/t16-,18?,19+,20-,21+/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Johns Hopkins School of Medicine



Assay Description
Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).


Chem Biol 16: 193-202 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.006
BindingDB Entry DOI: 10.7270/Q2WS8RQ5
More data for this
Ligand-Target Pair
Methionine aminopeptidase (MetAP2)


(Plasmodium falciparum)
BDBM50194623
PNG
((1S,5S,6R,E)-5-(hydroxymethyl)-1-methoxy-6-(6-meth...)
Show SMILES CO[C@@]12C(\C(C)=C\CC=C(C)C)[C@]1(CO)CCC2=O
Show InChI InChI=1S/C16H24O3/c1-11(2)6-5-7-12(3)14-15(10-17)9-8-13(18)16(14,15)19-4/h6-7,14,17H,5,8-10H2,1-4H3/b12-7+/t14?,15-,16+/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Johns Hopkins School of Medicine



Assay Description
Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).


Chem Biol 16: 193-202 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.006
BindingDB Entry DOI: 10.7270/Q2WS8RQ5
More data for this
Ligand-Target Pair
Methionine aminopeptidase (MetAP2)


(Plasmodium falciparum)
BDBM50194621
PNG
(6S-(1'R,2'R-1',5'-dimethyl-1',2'-oxiranyl-4'-hexen...)
Show SMILES CO[C@@]12C([C@@]3(C)O[C@@H]3CC=C(C)C)[C@@]1(CCC2=O)C=O
Show InChI InChI=1S/C16H22O4/c1-10(2)5-6-12-14(3,20-12)13-15(9-17)8-7-11(18)16(13,15)19-4/h5,9,12-13H,6-8H2,1-4H3/t12-,13?,14+,15-,16+/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Johns Hopkins School of Medicine



Assay Description
Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).


Chem Biol 16: 193-202 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.006
BindingDB Entry DOI: 10.7270/Q2WS8RQ5
More data for this
Ligand-Target Pair
Methionine aminopeptidase (MetAP2)


(Plasmodium falciparum)
BDBM81353
PNG
(Fumarranol Analog, 6)
Show SMILES CO[C@@]12C([C@@]3(C)O[C@@H]3CC=C(C)C)[C@]1(CBr)CCC2=O
Show InChI InChI=1S/C16H23BrO3/c1-10(2)5-6-12-14(3,20-12)13-15(9-17)8-7-11(18)16(13,15)19-4/h5,12-13H,6-9H2,1-4H3/t12-,13?,14+,15-,16+/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Johns Hopkins School of Medicine



Assay Description
Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).


Chem Biol 16: 193-202 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.006
BindingDB Entry DOI: 10.7270/Q2WS8RQ5
More data for this
Ligand-Target Pair
Methionine aminopeptidase (MetAP2)


(Plasmodium falciparum)
BDBM81355
PNG
(Fumarranol Analog, 10)
Show SMILES CO[C@@]12C([C@@]3(C)O[C@@H]3CC=C(C)C)[C@]1(CO)CC[C@H]2O
Show InChI InChI=1S/C16H26O4/c1-10(2)5-6-12-14(3,20-12)13-15(9-17)8-7-11(18)16(13,15)19-4/h5,11-13,17-18H,6-9H2,1-4H3/t11-,12-,13?,14+,15-,16+/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Johns Hopkins School of Medicine



Assay Description
Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).


Chem Biol 16: 193-202 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.006
BindingDB Entry DOI: 10.7270/Q2WS8RQ5
More data for this
Ligand-Target Pair