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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50000994   
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 1


(Homo sapiens (Human))
BDBM50267199
PNG
(CHEMBL4079583)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50267200
PNG
(CHEMBL4077166)
Show SMILES [H][C@]1([#6@@H](-[#8]-[#6])-[#6@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\[#6](-[#8])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20+,23-,24-,25-,26-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50267194
PNG
(CHEMBL4089242)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)C(\C)=C\C(C)(C)C)C(=O)N[C@H]1CC[C@H](CNC1=O)OC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C26H44N2O8/c1-15(13-26(2,3)4)19(29)20(30)21(31)22(35-5)24(33)28-18-12-11-17(14-27-23(18)32)36-25(34)16-9-7-6-8-10-16/h13,16-22,29-31H,6-12,14H2,1-5H3,(H,27,32)(H,28,33)/b15-13+/t17-,18+,19-,20+,21-,22-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50295174
PNG
(Bengamide A | CHEMBL256279)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r|
Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24-,25+,27-,28+,29+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50267193
PNG
(CHEMBL4078211)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C)C(=O)N[C@H]1CC[C@H](CNC1=O)OC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C25H42N2O8/c1-25(2,3)13-12-18(28)19(29)20(30)21(34-4)23(32)27-17-11-10-16(14-26-22(17)31)35-24(33)15-8-6-5-7-9-15/h12-13,15-21,28-30H,5-11,14H2,1-4H3,(H,26,31)(H,27,32)/b13-12+/t16-,17+,18-,19+,20-,21-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM17847
PNG
(CHEMBL327579 | pyridine-2-carboxylic acid inhibito...)
Show SMILES CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
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n/an/a 400n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50267193
PNG
(CHEMBL4078211)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C)C(=O)N[C@H]1CC[C@H](CNC1=O)OC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C25H42N2O8/c1-25(2,3)13-12-18(28)19(29)20(30)21(34-4)23(32)27-17-11-10-16(14-26-22(17)31)35-24(33)15-8-6-5-7-9-15/h12-13,15-21,28-30H,5-11,14H2,1-4H3,(H,26,31)(H,27,32)/b13-12+/t16-,17+,18-,19+,20-,21-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50295174
PNG
(Bengamide A | CHEMBL256279)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r|
Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24-,25+,27-,28+,29+/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50267195
PNG
(CHEMBL4061080)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N[C@H]1CC[C@@H](CNC1=O)OC(=O)CCCCCCCCCCC(C)C |r|
Show InChI InChI=1S/C31H56N2O8/c1-21(2)14-12-10-8-6-7-9-11-13-15-26(35)41-23-17-18-24(30(38)32-20-23)33-31(39)29(40-5)28(37)27(36)25(34)19-16-22(3)4/h16,19,21-25,27-29,34,36-37H,6-15,17-18,20H2,1-5H3,(H,32,38)(H,33,39)/b19-16+/t23-,24-,25+,27-,28+,29+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50267194
PNG
(CHEMBL4089242)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)C(\C)=C\C(C)(C)C)C(=O)N[C@H]1CC[C@H](CNC1=O)OC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C26H44N2O8/c1-15(13-26(2,3)4)19(29)20(30)21(31)22(35-5)24(33)28-18-12-11-17(14-27-23(18)32)36-25(34)16-9-7-6-8-10-16/h13,16-22,29-31H,6-12,14H2,1-5H3,(H,27,32)(H,28,33)/b15-13+/t17-,18+,19-,20+,21-,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50267195
PNG
(CHEMBL4061080)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N[C@H]1CC[C@@H](CNC1=O)OC(=O)CCCCCCCCCCC(C)C |r|
Show InChI InChI=1S/C31H56N2O8/c1-21(2)14-12-10-8-6-7-9-11-13-15-26(35)41-23-17-18-24(30(38)32-20-23)33-31(39)29(40-5)28(37)27(36)25(34)19-16-22(3)4/h16,19,21-25,27-29,34,36-37H,6-15,17-18,20H2,1-5H3,(H,32,38)(H,33,39)/b19-16+/t23-,24-,25+,27-,28+,29+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50267199
PNG
(CHEMBL4079583)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17847
PNG
(CHEMBL327579 | pyridine-2-carboxylic acid inhibito...)
Show SMILES CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Colorado Mesa University

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Nat Prod 80: 740-755 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00970
BindingDB Entry DOI: 10.7270/Q2SN0CG4
More data for this
Ligand-Target Pair