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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 4416   
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 Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM68281
PNG
(Bengamide A)
Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1
Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-20-41-31(39)23-17-18-24(29(37)32-21-23)33-30(38)28(40-4)27(36)26(35)25(34)19-16-22(2)3/h16,19,22-28,34-36H,5-15,17-18,20-21H2,1-4H3,(H,32,37)(H,33,38)/b19-16+/t23?,24?,25-,26+,27-,28-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM68286
PNG
(Bengamide N | Bengamide O)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C
Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-8-10-12-14-20-42-32(40)24-17-18-25(31(39)34(5)21-24)33-30(38)29(41-6)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,7-15,17-18,20-21H2,1-6H3,(H,33,38)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM68285
PNG
(Bengamide M)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCCC(C)C
Show InChI InChI=1S/C33H60N2O8/c1-23(2)16-14-12-10-8-7-9-11-13-15-21-43-33(41)25-18-19-26(32(40)35(5)22-25)34-31(39)30(42-6)29(38)28(37)27(36)20-17-24(3)4/h17,20,23-30,36-38H,7-16,18-19,21-22H2,1-6H3,(H,34,39)/b20-17+/t25?,26?,27-,28+,29-,30-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM68281
PNG
(Bengamide A)
Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1
Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-20-41-31(39)23-17-18-24(29(37)32-21-23)33-30(38)28(40-4)27(36)26(35)25(34)19-16-22(2)3/h16,19,22-28,34-36H,5-15,17-18,20-21H2,1-4H3,(H,32,37)(H,33,38)/b19-16+/t23?,24?,25-,26+,27-,28-/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM68282
PNG
(Bengamide B)
Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N(C)C1
Show InChI InChI=1S/C32H58N2O8/c1-6-7-8-9-10-11-12-13-14-15-16-21-42-32(40)24-18-19-25(31(39)34(4)22-24)33-30(38)29(41-5)28(37)27(36)26(35)20-17-23(2)3/h17,20,23-29,35-37H,6-16,18-19,21-22H2,1-5H3,(H,33,38)/b20-17+/t24?,25?,26-,27+,28-,29-/m1/s1
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n/an/a 1.79E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM68283
PNG
(Bengamide G)
Show SMILES CCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1
Show InChI InChI=1S/C30H54N2O8/c1-5-6-7-8-9-10-11-12-13-14-19-40-30(38)22-16-17-23(28(36)31-20-22)32-29(37)27(39-4)26(35)25(34)24(33)18-15-21(2)3/h15,18,21-27,33-35H,5-14,16-17,19-20H2,1-4H3,(H,31,36)(H,32,37)/b18-15+/t22?,23?,24-,25+,26-,27-/m1/s1
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n/an/a 2.68E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM68282
PNG
(Bengamide B)
Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N(C)C1
Show InChI InChI=1S/C32H58N2O8/c1-6-7-8-9-10-11-12-13-14-15-16-21-42-32(40)24-18-19-25(31(39)34(4)22-24)33-30(38)29(41-5)28(37)27(36)26(35)20-17-23(2)3/h17,20,23-29,35-37H,6-16,18-19,21-22H2,1-5H3,(H,33,38)/b20-17+/t24?,25?,26-,27+,28-,29-/m1/s1
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n/an/a 2.93E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM68284
PNG
(Bengamide L)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CNC1=O)C(=O)OCCCCCCCCCCCC(C)C
Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-6-8-10-12-14-20-42-32(40)24-17-18-25(30(38)33-21-24)34-31(39)29(41-5)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,6-15,17-18,20-21H2,1-5H3,(H,33,38)(H,34,39)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1
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n/an/a 3.71E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM68286
PNG
(Bengamide N | Bengamide O)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C
Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-8-10-12-14-20-42-32(40)24-17-18-25(31(39)34(5)21-24)33-30(38)29(41-6)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,7-15,17-18,20-21H2,1-6H3,(H,33,38)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1
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n/an/a 4.02E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM68286
PNG
(Bengamide N | Bengamide O)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C
Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-8-10-12-14-20-42-32(40)24-17-18-25(31(39)34(5)21-24)33-30(38)29(41-6)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,7-15,17-18,20-21H2,1-6H3,(H,33,38)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM68285
PNG
(Bengamide M)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCCC(C)C
Show InChI InChI=1S/C33H60N2O8/c1-23(2)16-14-12-10-8-7-9-11-13-15-21-43-33(41)25-18-19-26(32(40)35(5)22-25)34-31(39)30(42-6)29(38)28(37)27(36)20-17-24(3)4/h17,20,23-30,36-38H,7-16,18-19,21-22H2,1-6H3,(H,34,39)/b20-17+/t25?,26?,27-,28+,29-,30-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM68284
PNG
(Bengamide L)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CNC1=O)C(=O)OCCCCCCCCCCCC(C)C
Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-6-8-10-12-14-20-42-32(40)24-17-18-25(30(38)33-21-24)34-31(39)29(41-5)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,6-15,17-18,20-21H2,1-5H3,(H,33,38)(H,34,39)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM68286
PNG
(Bengamide N | Bengamide O)
Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C
Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-8-10-12-14-20-42-32(40)24-17-18-25(31(39)34(5)21-24)33-30(38)29(41-6)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,7-15,17-18,20-21H2,1-6H3,(H,33,38)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM68283
PNG
(Bengamide G)
Show SMILES CCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1
Show InChI InChI=1S/C30H54N2O8/c1-5-6-7-8-9-10-11-12-13-14-19-40-30(38)22-16-17-23(28(36)31-20-22)32-29(37)27(39-4)26(35)25(34)24(33)18-15-21(2)3/h15,18,21-27,33-35H,5-14,16-17,19-20H2,1-4H3,(H,31,36)(H,32,37)/b18-15+/t22?,23?,24-,25+,26-,27-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair