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Compile Data Set for Download or QSAR

Found 40 hits from deCODE biostructures, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50073854
PNG
(2,10-dihydroxy-12-(3,4,5-trihydroxy-6-hydroxymethy...)
Show SMILES OCC1OC(C(O)C(O)C1O)n1c2cc(O)ccc2c2c3C(=O)NC(=O)c3c3c4ccc(O)cc4[nH]c3c12
Show InChI InChI=1/C26H21N3O9/c30-7-14-21(33)22(34)23(35)26(38-14)29-13-6-9(32)2-4-11(13)16-18-17(24(36)28-25(18)37)15-10-3-1-8(31)5-12(10)27-19(15)20(16)29/h1-6,14,21-23,26-27,30-35H,7H2,(H,28,36,37)
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n/an/a 30n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I-DNA complex in trapping assay


J Med Chem 48: 2336-45 (2005)


Article DOI: 10.1021/jm049146p
BindingDB Entry DOI: 10.7270/Q2CF9QVT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50008935
PNG
((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O
Show InChI InChI=1/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/s2
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n/an/a 50n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I-DNA complex in trapping assay


J Med Chem 48: 2336-45 (2005)


Article DOI: 10.1021/jm049146p
BindingDB Entry DOI: 10.7270/Q2CF9QVT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294161
PNG
((R)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)pyrro...)
Show SMILES OC(=O)CCCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/s2
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n/an/a 69n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294161
PNG
((R)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)pyrro...)
Show SMILES OC(=O)CCCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/s2
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n/an/a 71n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294162
PNG
((R)-(4-(pyrrolidin-2-ylmethoxy)phenyl)(4-(thiophen...)
Show SMILES O=C(c1ccc(OC[C@H]2CCCN2)cc1)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1/C22H21NO2S/c24-22(17-5-3-16(4-6-17)19-11-13-26-15-19)18-7-9-21(10-8-18)25-14-20-2-1-12-23-20/h3-11,13,15,20,23H,1-2,12,14H2/t20-/s2
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n/an/a 81n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294163
PNG
((R)-N-benzyl-4-(pyrrolidin-2-ylmethoxy)aniline | C...)
Show SMILES C(Nc1ccc(OC[C@H]2CCCN2)cc1)c1ccccc1
Show InChI InChI=1/C18H22N2O/c1-2-5-15(6-3-1)13-20-16-8-10-18(11-9-16)21-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2/t17-/s2
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n/an/a 157n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294162
PNG
((R)-(4-(pyrrolidin-2-ylmethoxy)phenyl)(4-(thiophen...)
Show SMILES O=C(c1ccc(OC[C@H]2CCCN2)cc1)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1/C22H21NO2S/c24-22(17-5-3-16(4-6-17)19-11-13-26-15-19)18-7-9-21(10-8-18)25-14-20-2-1-12-23-20/h3-11,13,15,20,23H,1-2,12,14H2/t20-/s2
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n/an/a 189n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294163
PNG
((R)-N-benzyl-4-(pyrrolidin-2-ylmethoxy)aniline | C...)
Show SMILES C(Nc1ccc(OC[C@H]2CCCN2)cc1)c1ccccc1
Show InChI InChI=1/C18H22N2O/c1-2-5-15(6-3-1)13-20-16-8-10-18(11-9-16)21-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2/t17-/s2
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n/an/a 207n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/s2
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n/an/a 300n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I-DNA complex in trapping assay


J Med Chem 48: 2336-45 (2005)


Article DOI: 10.1021/jm049146p
BindingDB Entry DOI: 10.7270/Q2CF9QVT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50164286
PNG
(4-(5,11-Dioxo-5,6a,11,11a-tetrahydro-indeno[1,2-c]...)
Show SMILES OC(=O)CCCN1C2C(C(=O)c3ccccc23)c2ccccc2C1=O
Show InChI InChI=1/C20H17NO4/c22-16(23)10-5-11-21-18-13-7-2-3-8-14(13)19(24)17(18)12-6-1-4-9-15(12)20(21)25/h1-4,6-9,17-18H,5,10-11H2,(H,22,23)
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n/an/a 4.90E+3n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I-DNA complex in trapping assay


J Med Chem 48: 2336-45 (2005)


Article DOI: 10.1021/jm049146p
BindingDB Entry DOI: 10.7270/Q2CF9QVT
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294164
PNG
(1-(2,2'-bithiophen-5-yl)methanamine | 2,2'-bithiop...)
Show SMILES NCc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
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n/an/a 3.89E+4n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294164
PNG
(1-(2,2'-bithiophen-5-yl)methanamine | 2,2'-bithiop...)
Show SMILES NCc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
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n/an/a 7.52E+4n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294165
PNG
((4-(thiophen-2-yl)phenyl)methanamine | 1-(4-thioph...)
Show SMILES NCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2
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n/an/a 1.06E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294165
PNG
((4-(thiophen-2-yl)phenyl)methanamine | 1-(4-thioph...)
Show SMILES NCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2
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n/an/a 1.06E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50085531
PNG
(3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...)
Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
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n/an/a 1.45E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294166
PNG
(CHEMBL558285 | pyridin-4-yl(4-(2-(pyrrolidin-1-yl)...)
Show SMILES OC(c1ccncc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2
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n/an/a 1.70E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294166
PNG
(CHEMBL558285 | pyridin-4-yl(4-(2-(pyrrolidin-1-yl)...)
Show SMILES OC(c1ccncc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2
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n/an/a 2.02E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 2.12E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294167
PNG
(5-(2-(pyrrolidin-1-yl)ethoxy)-1H-indole | CHEMBL56...)
Show SMILES C(CN1CCCC1)Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C14H18N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h3-6,11,15H,1-2,7-10H2
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n/an/a 2.34E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50085531
PNG
(3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...)
Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
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n/an/a 2.47E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM13337
PNG
(3-(benzyloxy)pyridin-2-amine | Pyridine derived fr...)
Show SMILES Nc1ncccc1OCc1ccccc1
Show InChI InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
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n/an/a 3.08E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294167
PNG
(5-(2-(pyrrolidin-1-yl)ethoxy)-1H-indole | CHEMBL56...)
Show SMILES C(CN1CCCC1)Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C14H18N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h3-6,11,15H,1-2,7-10H2
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n/an/a 3.21E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 3.66E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM13337
PNG
(3-(benzyloxy)pyridin-2-amine | Pyridine derived fr...)
Show SMILES Nc1ncccc1OCc1ccccc1
Show InChI InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
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n/an/a 6.19E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294168
PNG
(1-(2-(1H-indol-5-yloxy)ethyl)piperidine-4-carboxyl...)
Show SMILES OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20)
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n/an/a 9.66E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50293592
PNG
(4-(2-Aminothiazol-4-yl)phenol | 4-(2-amino-1,3-thi...)
Show SMILES Nc1nc(cs1)-c1ccc(O)cc1
Show InChI InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)
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n/an/a>1.00E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM32212
PNG
(1H-indol-5-ol | cid_16054)
Show SMILES Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
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n/an/a>1.00E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294169
PNG
(5-chloro-1H-indole | CHEMBL555013)
Show SMILES Clc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
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n/an/a>1.00E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294170
PNG
(5-fluoro-1H-indole | CHEMBL555457)
Show SMILES Fc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
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n/an/a>1.00E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294171
PNG
(CHEMBL549343 | N-methyl-1-(2-(thiophen-2-yl)phenyl...)
Show SMILES CNCc1ccccc1-c1cccs1
Show InChI InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3
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n/an/a 1.08E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294172
PNG
(CHEMBL264669 | N-(pyridin-3-ylmethyl)aniline | N-(...)
Show SMILES C(Nc1ccccc1)c1cccnc1
Show InChI InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
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n/an/a 1.32E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50293592
PNG
(4-(2-Aminothiazol-4-yl)phenol | 4-(2-amino-1,3-thi...)
Show SMILES Nc1nc(cs1)-c1ccc(O)cc1
Show InChI InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)
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n/an/a 1.44E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294168
PNG
(1-(2-(1H-indol-5-yloxy)ethyl)piperidine-4-carboxyl...)
Show SMILES OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20)
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n/an/a 1.49E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294169
PNG
(5-chloro-1H-indole | CHEMBL555013)
Show SMILES Clc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
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n/an/a 1.51E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294172
PNG
(CHEMBL264669 | N-(pyridin-3-ylmethyl)aniline | N-(...)
Show SMILES C(Nc1ccccc1)c1cccnc1
Show InChI InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
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n/an/a 1.67E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294170
PNG
(5-fluoro-1H-indole | CHEMBL555457)
Show SMILES Fc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
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n/an/a>2.00E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294171
PNG
(CHEMBL549343 | N-methyl-1-(2-(thiophen-2-yl)phenyl...)
Show SMILES CNCc1ccccc1-c1cccs1
Show InChI InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3
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n/an/a>2.00E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM32212
PNG
(1H-indol-5-ol | cid_16054)
Show SMILES Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
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n/an/a>2.00E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294173
PNG
((4-fluorophenyl)(pyridin-4-yl)methanone | CHEMBL56...)
Show SMILES Fc1ccc(cc1)C(=O)c1ccncc1
Show InChI InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
PDB
MMDB

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Article
PubMed
n/an/a 3.67E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50294173
PNG
((4-fluorophenyl)(pyridin-4-yl)methanone | CHEMBL56...)
Show SMILES Fc1ccc(cc1)C(=O)c1ccncc1
Show InChI InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 5.31E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)