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Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'tenney' and Initial = 'k'   
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 110n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Acetolactate synthase catalytic subunit, mitochondrial


(Saccharomyces cerevisiae)
BDBM50134315
PNG
(7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-...)
Show SMILES CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3 |r,c:8,t:6,THB:12:13:1.2:19.20,15:14:1.2:19.20|
Show InChI InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae acetolactate synthase


Bioorg Med Chem 18: 2566-74 (2010)


Article DOI: 10.1016/j.bmc.2010.02.034
BindingDB Entry DOI: 10.7270/Q22J6C0K
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50240936
PNG
(2-[(2E,6E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohe...)
Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/Cc1cc(O)ccc1O |c:9|
Show InChI InChI=1S/C26H38O2/c1-19(11-13-22-18-23(27)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-26(24,4)5/h9,11,14,16,18,27-28H,6-8,10,12-13,15,17H2,1-5H3/b19-11+,20-9+
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n/an/a 450n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50320449
PNG
((-)-ZILEUTON | CHEMBL1164975)
Show SMILES C[C@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50240865
PNG
((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15|
Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
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 |r|
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 |r|
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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50320447
PNG
(CHEMBL1164369 | isojaspic acid)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human 12-lipoxygenase


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50320451
PNG
(CHEMBL1163875 | puupehedione)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)C=C3C=C21 |r,c:21,t:15,24|
Show InChI InChI=1S/C21H26O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17H,5-9H2,1-4H3/t17-,20-,21-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Thioredoxin reductase 1 (TrxR)


(Homo sapiens (Human))
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase 1


Bioorg Med Chem 18: 2566-74 (2010)


Article DOI: 10.1016/j.bmc.2010.02.034
BindingDB Entry DOI: 10.7270/Q22J6C0K
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50320448
PNG
(CHEMBL1163939 | jaspic acid)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#6]-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26?,27-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50320447
PNG
(CHEMBL1164369 | isojaspic acid)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human 15-lipoxygenase


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
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 |r|
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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50240865
PNG
((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15|
Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50320451
PNG
(CHEMBL1163875 | puupehedione)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)C=C3C=C21 |r,c:21,t:15,24|
Show InChI InChI=1S/C21H26O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17H,5-9H2,1-4H3/t17-,20-,21-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50320448
PNG
(CHEMBL1163939 | jaspic acid)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#6]-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26?,27-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
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 |r|
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50320448
PNG
(CHEMBL1163939 | jaspic acid)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#6]-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26?,27-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50320447
PNG
(CHEMBL1164369 | isojaspic acid)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
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 |r|
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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50320451
PNG
(CHEMBL1163875 | puupehedione)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)C=C3C=C21 |r,c:21,t:15,24|
Show InChI InChI=1S/C21H26O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17H,5-9H2,1-4H3/t17-,20-,21-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50320447
PNG
(CHEMBL1164369 | isojaspic acid)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50240936
PNG
(2-[(2E,6E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohe...)
Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/Cc1cc(O)ccc1O |c:9|
Show InChI InChI=1S/C26H38O2/c1-19(11-13-22-18-23(27)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-26(24,4)5/h9,11,14,16,18,27-28H,6-8,10,12-13,15,17H2,1-5H3/b19-11+,20-9+
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50240865
PNG
((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15|
Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
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 |r|
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 |r|
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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50320447
PNG
(CHEMBL1164369 | isojaspic acid)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
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 |r|
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 |r|
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))
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 |r|
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 |r|
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
Mycothiol S-conjugate amidase


(Mycobacterium tuberculosis)
BDBM50134315
PNG
(7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-...)
Show SMILES CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3 |r,c:8,t:6,THB:12:13:1.2:19.20,15:14:1.2:19.20|
Show InChI InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis mycothiol-S-conjugate amidase


Bioorg Med Chem 18: 2566-74 (2010)


Article DOI: 10.1016/j.bmc.2010.02.034
BindingDB Entry DOI: 10.7270/Q22J6C0K
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 |r|
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50320452
PNG
(20-hydroxyhaterumadienone | CHEMBL1165577)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3CC(=O)C(=O)C3=C[C@H]21 |r,c:22|
Show InChI InChI=1S/C20H28O3/c1-18(2)7-5-8-19(3)15(18)6-9-20(4)16(19)10-12-14(23-20)11-13(21)17(12)22/h10,14-16H,5-9,11H2,1-4H3/t14?,15-,16+,19-,20-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
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 |r|
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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50240936
PNG
(2-[(2E,6E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohe...)
Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/Cc1cc(O)ccc1O |c:9|
Show InChI InChI=1S/C26H38O2/c1-19(11-13-22-18-23(27)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-26(24,4)5/h9,11,14,16,18,27-28H,6-8,10,12-13,15,17H2,1-5H3/b19-11+,20-9+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
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 |r|
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
Mycothiol S-conjugate amidase


(Mycobacterium tuberculosis)
BDBM50315536
PNG
(CHEMBL512683 | chetoseminudin B)
Show SMILES CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](CO)(SC)N(C)C1=O |r|
Show InChI InChI=1S/C17H21N3O3S2/c1-20-15(23)16(24-2,19-14(22)17(20,10-21)25-3)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,22)/t16-,17-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis mycothiol-S-conjugate amidase


Bioorg Med Chem 18: 2566-74 (2010)


Article DOI: 10.1016/j.bmc.2010.02.034
BindingDB Entry DOI: 10.7270/Q22J6C0K
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50315535
PNG
(CHEMBL1088981 | bis(methylthio)gliotoxin)
Show SMILES CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O |r,c:6,t:4|
Show InChI InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of farnesyl protein transferase


Bioorg Med Chem 18: 2566-74 (2010)


Article DOI: 10.1016/j.bmc.2010.02.034
BindingDB Entry DOI: 10.7270/Q22J6C0K
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50320452
PNG
(20-hydroxyhaterumadienone | CHEMBL1165577)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3CC(=O)C(=O)C3=C[C@H]21 |r,c:22|
Show InChI InChI=1S/C20H28O3/c1-18(2)7-5-8-19(3)15(18)6-9-20(4)16(19)10-12-14(23-20)11-13(21)17(12)22/h10,14-16H,5-9,11H2,1-4H3/t14?,15-,16+,19-,20-/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50320453
PNG
(15-Oxo-puupehenoic Acid | CHEMBL1165243)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(O)=O)c3C(=O)[C@H]21 |r|
Show InChI InChI=1S/C22H28O4/c1-20(2)10-6-11-21(3)15(20)9-12-22(4)18(21)17(23)16-13(19(24)25)7-5-8-14(16)26-22/h5,7-8,15,18H,6,9-12H2,1-4H3,(H,24,25)/t15-,18+,21-,22-/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50320453
PNG
(15-Oxo-puupehenoic Acid | CHEMBL1165243)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(O)=O)c3C(=O)[C@H]21 |r|
Show InChI InChI=1S/C22H28O4/c1-20(2)10-6-11-21(3)15(20)9-12-22(4)18(21)17(23)16-13(19(24)25)7-5-8-14(16)26-22/h5,7-8,15,18H,6,9-12H2,1-4H3,(H,24,25)/t15-,18+,21-,22-/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50320453
PNG
(15-Oxo-puupehenoic Acid | CHEMBL1165243)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(O)=O)c3C(=O)[C@H]21 |r|
Show InChI InChI=1S/C22H28O4/c1-20(2)10-6-11-21(3)15(20)9-12-22(4)18(21)17(23)16-13(19(24)25)7-5-8-14(16)26-22/h5,7-8,15,18H,6,9-12H2,1-4H3,(H,24,25)/t15-,18+,21-,22-/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50320452
PNG
(20-hydroxyhaterumadienone | CHEMBL1165577)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3CC(=O)C(=O)C3=C[C@H]21 |r,c:22|
Show InChI InChI=1S/C20H28O3/c1-18(2)7-5-8-19(3)15(18)6-9-20(4)16(19)10-12-14(23-20)11-13(21)17(12)22/h10,14-16H,5-9,11H2,1-4H3/t14?,15-,16+,19-,20-/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50433373
PNG
(CHEMBL2375609)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1cc(nc2ccccc12)-c1ccccn1 |r|
Show InChI InChI=1S/C29H29N5O2/c1-21(35)31-27(19-22-9-3-2-4-10-22)29(36)34-17-15-33(16-18-34)28-20-26(25-13-7-8-14-30-25)32-24-12-6-5-11-23(24)28/h2-14,20,27H,15-19H2,1H3,(H,31,35)/t27-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 2 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50433374
PNG
(CHEMBL2375610)
Show SMILES CC(=O)Nc1ncc(CC(=O)N2CCN(CC2)c2cc(nc3ccccc23)-c2ccccn2)s1
Show InChI InChI=1S/C25H24N6O2S/c1-17(32)28-25-27-16-18(34-25)14-24(33)31-12-10-30(11-13-31)23-15-22(21-8-4-5-9-26-21)29-20-7-3-2-6-19(20)23/h2-9,15-16H,10-14H2,1H3,(H,27,28,32)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 2 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Co2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM50042874
PNG
(2,2'-Bipyridin | 2,2'-bipyridine | 2,2'-bipyridyl ...)
Show SMILES c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
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n/an/an/an/a 320n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Co2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
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