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Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'parnas' and Initial = 'bl'   
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
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085261
PNG
(CHEMBL163478 | [2-(4-Benzyl-phenoxy)-ethyl]-dimeth...)
Show SMILES CN(C)CCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C17H21NO/c1-18(2)12-13-19-17-10-8-16(9-11-17)14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085288
PNG
(1-{2-[4-(Biphenyl-4-yloxy)-phenoxy]-ethyl}-pyrroli...)
Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25NO2/c1-2-6-20(7-3-1)21-8-10-23(11-9-21)27-24-14-12-22(13-15-24)26-19-18-25-16-4-5-17-25/h1-3,6-15H,4-5,16-19H2
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n/an/a 6.60n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085282
PNG
(5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine | C...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cn1
Show InChI InChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-17-8-9-18(19-15-17)21-13-12-20-10-4-5-11-20/h1-3,6-9,15H,4-5,10-14H2
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n/an/a 7n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085290
PNG
(2-(4-Benzyl-phenoxy)-ethylamine | 2-(4-benzylpheno...)
Show SMILES NCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C15H17NO/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9H,10-12,16H2
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n/an/a 9n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085277
PNG
(1-{2-[4-(Difluoro-phenyl-methyl)-phenoxy]-ethyl}-p...)
Show SMILES FC(F)(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C19H21F2NO/c20-19(21,16-6-2-1-3-7-16)17-8-10-18(11-9-17)23-15-14-22-12-4-5-13-22/h1-3,6-11H,4-5,12-15H2
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n/an/a 11n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085270
PNG
(2-[2-(4-Benzyl-phenoxy)-ethyl]-2,5-diaza-bicyclo[2...)
Show SMILES C(CN1CC2CC1CN2)Oc1ccc(Cc2ccccc2)cc1 |THB:1:2:5:8.7|
Show InChI InChI=1S/C20H24N2O/c1-2-4-16(5-3-1)12-17-6-8-20(9-7-17)23-11-10-22-15-18-13-19(22)14-21-18/h1-9,18-19,21H,10-15H2
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n/an/a 17n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085297
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-2,6-dimethyl-piperi...)
Show SMILES CC1CCCC(C)N1CCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO/c1-18-7-6-8-19(2)23(18)15-16-24-22-13-11-21(12-14-22)17-20-9-4-3-5-10-20/h3-5,9-14,18-19H,6-8,15-17H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50094519
PNG
((R)-1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,...)
Show SMILES O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pharmacia Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP-mediated transfer of [3H]-CE from HDL to LDL


J Med Chem 43: 4575-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X0669S
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50094519
PNG
((R)-1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,...)
Show SMILES O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer.


J Med Chem 45: 3891-904 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D7P
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085279
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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n/an/a 26n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085252
PNG
(CHEMBL162180 | Phenyl-[4-(2-pyrrolidin-1-yl-ethoxy...)
Show SMILES C(CN1CCCC1)Oc1ccc(CNc2ccccc2)cc1
Show InChI InChI=1S/C19H24N2O/c1-2-6-18(7-3-1)20-16-17-8-10-19(11-9-17)22-15-14-21-12-4-5-13-21/h1-3,6-11,20H,4-5,12-16H2
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n/an/a 27n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50046270
PNG
((E)-6-Iodomethylene-3-naphthalen-1-yl-tetrahydro-p...)
Show SMILES I\C=C1/CCC(C(=O)O1)c1cccc2ccccc12
Show InChI InChI=1S/C16H13IO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+
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n/an/a 30n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2 .


J Med Chem 36: 95-100 (1993)


BindingDB Entry DOI: 10.7270/Q22J69XV
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085248
PNG
(1-[2-(4-Benzyloxy-phenoxy)-ethyl]-pyrrolidine | CH...)
Show SMILES C(CN1CCCC1)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO2/c1-2-6-17(7-3-1)16-22-19-10-8-18(9-11-19)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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n/an/a 30n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085245
PNG
(1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine | CHEM...)
Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H21NO2/c1-2-6-17(7-3-1)21-18-10-8-16(9-11-18)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2
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n/an/a 30n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085299
PNG
(1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrol...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccsc2)cc1
Show InChI InChI=1S/C17H21NOS/c1-2-9-18(8-1)10-11-19-17-5-3-15(4-6-17)13-16-7-12-20-14-16/h3-7,12,14H,1-2,8-11,13H2
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n/an/a 33n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085262
PNG
(1-[2-(5-Benzyl-thiophen-2-yloxy)-ethyl]-pyrrolidin...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)s1
Show InChI InChI=1S/C17H21NOS/c1-2-6-15(7-3-1)14-16-8-9-17(20-16)19-13-12-18-10-4-5-11-18/h1-3,6-9H,4-5,10-14H2
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n/an/a 36n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085283
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-azepane | CHEMBL159...)
Show SMILES C(CN1CCCCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO/c1-2-7-15-22(14-6-1)16-17-23-21-12-10-20(11-13-21)18-19-8-4-3-5-9-19/h3-5,8-13H,1-2,6-7,14-18H2
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n/an/a 37n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085276
PNG
(1-[2-(4-Cyclohexylmethyl-phenoxy)-ethyl]-pyrrolidi...)
Show SMILES C(CN1CCCC1)Oc1ccc(CC2CCCCC2)cc1
Show InChI InChI=1S/C19H29NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h8-11,17H,1-7,12-16H2
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n/an/a 40n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085255
PNG
(2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl...)
Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ncco2)cc1
Show InChI InChI=1S/C21H22N2O3/c1-2-13-23(12-1)14-16-24-18-7-9-20(10-8-18)26-19-5-3-17(4-6-19)21-22-11-15-25-21/h3-11,15H,1-2,12-14,16H2
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n/an/a 43n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085292
PNG
(1-[2-(4-Furan-2-ylmethyl-phenoxy)-ethyl]-pyrrolidi...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccco2)cc1
Show InChI InChI=1S/C17H21NO2/c1-2-10-18(9-1)11-13-20-16-7-5-15(6-8-16)14-17-4-3-12-19-17/h3-8,12H,1-2,9-11,13-14H2
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n/an/a 47n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085268
PNG
(1-[2-(4-Benzyl-3-fluoro-phenoxy)-ethyl]-pyrrolidin...)
Show SMILES Fc1cc(OCCN2CCCC2)ccc1Cc1ccccc1
Show InChI InChI=1S/C19H22FNO/c20-19-15-18(22-13-12-21-10-4-5-11-21)9-8-17(19)14-16-6-2-1-3-7-16/h1-3,6-9,15H,4-5,10-14H2
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n/an/a 53n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085285
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidine | CHEMBL...)
Show SMILES C(CN1CCCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO/c1-3-7-18(8-4-1)17-19-9-11-20(12-10-19)22-16-15-21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-17H2
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n/an/a 55n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085255
PNG
(2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl...)
Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ncco2)cc1
Show InChI InChI=1S/C21H22N2O3/c1-2-13-23(12-1)14-16-24-18-7-9-20(10-8-18)26-19-5-3-17(4-6-19)21-22-11-15-25-21/h3-11,15H,1-2,12-14,16H2
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n/an/a 55n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085253
PNG
(1-[2-(4-Benzyl-2-fluoro-phenoxy)-ethyl]-pyrrolidin...)
Show SMILES Fc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C19H22FNO/c20-18-15-17(14-16-6-2-1-3-7-16)8-9-19(18)22-13-12-21-10-4-5-11-21/h1-3,6-9,15H,4-5,10-14H2
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n/an/a 60n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085281
PNG
(1-{2-[4-(4-Chloro-benzyl)-phenoxy]-ethyl}-pyrrolid...)
Show SMILES Clc1ccc(Cc2ccc(OCCN3CCCC3)cc2)cc1
Show InChI InChI=1S/C19H22ClNO/c20-18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)22-14-13-21-11-1-2-12-21/h3-10H,1-2,11-15H2
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n/an/a 60n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085311
PNG
(1-[2-(4-Phenylsulfanylmethyl-phenoxy)-ethyl]-pyrro...)
Show SMILES C(CN1CCCC1)Oc1ccc(CSc2ccccc2)cc1
Show InChI InChI=1S/C19H23NOS/c1-2-6-19(7-3-1)22-16-17-8-10-18(11-9-17)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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n/an/a 67n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085291
PNG
(2-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole |...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2nccs2)cc1
Show InChI InChI=1S/C16H20N2OS/c1-2-9-18(8-1)10-11-19-15-5-3-14(4-6-15)13-16-17-7-12-20-16/h3-7,12H,1-2,8-11,13H2
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n/an/a 69n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085308
PNG
(1-{2-[4-(4-Methoxy-benzyl)-phenoxy]-ethyl}-pyrroli...)
Show SMILES COc1ccc(Cc2ccc(OCCN3CCCC3)cc2)cc1
Show InChI InChI=1S/C20H25NO2/c1-22-19-8-4-17(5-9-19)16-18-6-10-20(11-7-18)23-15-14-21-12-2-3-13-21/h4-11H,2-3,12-16H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085261
PNG
(CHEMBL163478 | [2-(4-Benzyl-phenoxy)-ethyl]-dimeth...)
Show SMILES CN(C)CCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C17H21NO/c1-18(2)12-13-19-17-10-8-16(9-11-17)14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085289
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-piperazine | CHEMBL...)
Show SMILES C(CN1CCNCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N2O/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-14-21-12-10-20-11-13-21/h1-9,20H,10-16H2
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n/an/a 75n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085292
PNG
(1-[2-(4-Furan-2-ylmethyl-phenoxy)-ethyl]-pyrrolidi...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccco2)cc1
Show InChI InChI=1S/C17H21NO2/c1-2-10-18(9-1)11-13-20-16-7-5-15(6-8-16)14-17-4-3-12-19-17/h3-8,12H,1-2,9-11,13-14H2
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n/an/a 75n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085298
PNG
(1-[2-(4-Furan-3-ylmethyl-phenoxy)-ethyl]-pyrrolidi...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccoc2)cc1
Show InChI InChI=1S/C17H21NO2/c1-2-9-18(8-1)10-12-20-17-5-3-15(4-6-17)13-16-7-11-19-14-16/h3-7,11,14H,1-2,8-10,12-13H2
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n/an/a 77n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085301
PNG
(5-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole |...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2cncs2)cc1
Show InChI InChI=1S/C16H20N2OS/c1-2-8-18(7-1)9-10-19-15-5-3-14(4-6-15)11-16-12-17-13-20-16/h3-6,12-13H,1-2,7-11H2
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n/an/a 77n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085245
PNG
(1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine | CHEM...)
Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H21NO2/c1-2-6-17(7-3-1)21-18-10-8-16(9-11-18)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2
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n/an/a 79n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085305
PNG
(1-{2-[4-(3-Chloro-benzyl)-phenoxy]-ethyl}-pyrrolid...)
Show SMILES Clc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1
Show InChI InChI=1S/C19H22ClNO/c20-18-5-3-4-17(15-18)14-16-6-8-19(9-7-16)22-13-12-21-10-1-2-11-21/h3-9,15H,1-2,10-14H2
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n/an/a 80n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085282
PNG
(5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine | C...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cn1
Show InChI InChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-17-8-9-18(19-15-17)21-13-12-20-10-4-5-11-20/h1-3,6-9,15H,4-5,10-14H2
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n/an/a 82n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085246
PNG
(3-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-pyridine |...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2cccnc2)cc1
Show InChI InChI=1S/C18H22N2O/c1-2-11-20(10-1)12-13-21-18-7-5-16(6-8-18)14-17-4-3-9-19-15-17/h3-9,15H,1-2,10-14H2
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n/an/a 87n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50046271
PNG
((E)-3-(naphthalen-1-yl)-6-(prop-2-yn-1-ylidene)tet...)
Show SMILES O=C1O\C(CCC1c1cccc2ccccc12)=C\C#C
Show InChI InChI=1S/C18H14O2/c1-2-6-14-11-12-17(18(19)20-14)16-10-5-8-13-7-3-4-9-15(13)16/h1,3-10,17H,11-12H2/b14-6+
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n/an/a 95n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2 .


J Med Chem 36: 95-100 (1993)


BindingDB Entry DOI: 10.7270/Q22J69XV
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085299
PNG
(1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrol...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccsc2)cc1
Show InChI InChI=1S/C17H21NOS/c1-2-9-18(8-1)10-11-19-17-5-3-15(4-6-17)13-16-7-12-20-14-16/h3-7,12,14H,1-2,8-11,13H2
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n/an/a 100n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085263
PNG
(2-[2-(4-Benzyl-phenoxy)-ethyl]-2-aza-bicyclo[2.2.2...)
Show SMILES C(CN1CC2CCC1C=C2)Oc1ccc(Cc2ccccc2)cc1 |c:9,THB:1:2:8.9:6.5|
Show InChI InChI=1S/C22H25NO/c1-2-4-18(5-3-1)16-19-8-12-22(13-9-19)24-15-14-23-17-20-6-10-21(23)11-7-20/h1-6,8-10,12-13,20-21H,7,11,14-17H2
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n/an/a 100n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50046268
PNG
(6-Bromomethylene-3-naphthalen-1-yl-tetrahydro-pyra...)
Show SMILES Br\C=C1/CCC(C(=O)O1)c1cccc2ccccc12
Show InChI InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+
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n/an/a>100n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2 .


J Med Chem 36: 95-100 (1993)


BindingDB Entry DOI: 10.7270/Q22J69XV
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085306
PNG
(CHEMBL164168 | [2-(4-Benzyl-phenoxy)-ethyl]-diisop...)
Show SMILES CC(C)N(CCOc1ccc(Cc2ccccc2)cc1)C(C)C
Show InChI InChI=1S/C21H29NO/c1-17(2)22(18(3)4)14-15-23-21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3
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n/an/a 100n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085283
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-azepane | CHEMBL159...)
Show SMILES C(CN1CCCCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO/c1-2-7-15-22(14-6-1)16-17-23-21-12-10-20(11-13-21)18-19-8-4-3-5-9-19/h3-5,8-13H,1-2,6-7,14-18H2
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n/an/a 120n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085279
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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PubMed
n/an/a 120n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50046268
PNG
(6-Bromomethylene-3-naphthalen-1-yl-tetrahydro-pyra...)
Show SMILES Br\C=C1/CCC(C(=O)O1)c1cccc2ccccc12
Show InChI InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+
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n/an/a 140n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2 .


J Med Chem 36: 95-100 (1993)


BindingDB Entry DOI: 10.7270/Q22J69XV
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085306
PNG
(CHEMBL164168 | [2-(4-Benzyl-phenoxy)-ethyl]-diisop...)
Show SMILES CC(C)N(CCOc1ccc(Cc2ccccc2)cc1)C(C)C
Show InChI InChI=1S/C21H29NO/c1-17(2)22(18(3)4)14-15-23-21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3
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n/an/a 140n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085288
PNG
(1-{2-[4-(Biphenyl-4-yloxy)-phenoxy]-ethyl}-pyrroli...)
Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25NO2/c1-2-6-20(7-3-1)21-8-10-23(11-9-21)27-24-14-12-22(13-15-24)26-19-18-25-16-4-5-17-25/h1-3,6-15H,4-5,16-19H2
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n/an/a 140n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50094513
PNG
(1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,2,2-...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2
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n/an/a 140n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer.


J Med Chem 45: 3891-904 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D7P
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085252
PNG
(CHEMBL162180 | Phenyl-[4-(2-pyrrolidin-1-yl-ethoxy...)
Show SMILES C(CN1CCCC1)Oc1ccc(CNc2ccccc2)cc1
Show InChI InChI=1S/C19H24N2O/c1-2-6-18(7-3-1)20-16-17-8-10-19(11-9-17)22-15-14-21-12-4-5-13-21/h1-3,6-11,20H,4-5,12-16H2
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PubMed
n/an/a 150n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
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