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Found 132 hits Enz. Inhib. hit(s) with Target = 'Leukotriene C4 synthase'   
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 C4 synthase


(Homo sapiens (Human))
BDBM223288
PNG
((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1
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n/an/a 0.248n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223288
PNG
((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1
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n/an/a 0.248n/an/an/an/a7.5n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223287
PNG
((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F
Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1
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n/an/a 0.289n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223287
PNG
((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F
Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1
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n/an/a 0.289n/an/an/an/a7.5n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM310035
PNG
((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(propy...)
Show SMILES CCCN(c1cnc(C(=O)C2C[C@@H]2C(O)=O)c(OC)n1)c1cc(Cl)c(F)cc1F |r|
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n/an/a 0.483n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223289
PNG
((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(propy...)
Show SMILES CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)n1)c1cc(Cl)c(F)cc1F
Show InChI InChI=1S/C19H18ClF2N3O4/c1-3-4-25(14-6-11(20)12(21)7-13(14)22)15-8-23-16(18(24-15)29-2)17(26)9-5-10(9)19(27)28/h6-10H,3-5H2,1-2H3,(H,27,28)/t9-,10-/m0/s1
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n/an/a 0.483n/an/an/an/a7.5n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223290
PNG
((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...)
Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1
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n/an/a 0.658n/an/an/an/a7.5n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223290
PNG
((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...)
Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1
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n/an/a 0.658n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223261
PNG
(2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCc3cccc1c23
Show InChI InChI=1/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)
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n/an/a 9n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223261
PNG
(2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCc3cccc1c23
Show InChI InChI=1/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)
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n/an/a 9n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223281
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-4...)
Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12)C(=O)C1CC1C(O)=O
Show InChI InChI=1/C24H22ClN3O4/c1-32-23-20(11-26-22(27-23)21(29)16-10-17(16)24(30)31)28(12-13-6-7-13)19-9-8-18(25)14-4-2-3-5-15(14)19/h2-5,8-9,11,13,16-17H,6-7,10,12H2,1H3,(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223281
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-4...)
Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12)C(=O)C1CC1C(O)=O
Show InChI InChI=1/C24H22ClN3O4/c1-32-23-20(11-26-22(27-23)21(29)16-10-17(16)24(30)31)28(12-13-6-7-13)19-9-8-18(25)14-4-2-3-5-15(14)19/h2-5,8-9,11,13,16-17H,6-7,10,12H2,1H3,(H,30,31)
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n/an/a 17n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223284
PNG
(2-(5-((Cyclopropylmethyl)(4-methylnaphthalen-1-yl)...)
Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(C)c2ccccc12)C(=O)C1CC1C(O)=O
Show InChI InChI=1/C25H25N3O4/c1-14-7-10-20(17-6-4-3-5-16(14)17)28(13-15-8-9-15)21-12-26-23(27-24(21)32-2)22(29)18-11-19(18)25(30)31/h3-7,10,12,15,18-19H,8-9,11,13H2,1-2H3,(H,30,31)
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n/an/a 18n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223284
PNG
(2-(5-((Cyclopropylmethyl)(4-methylnaphthalen-1-yl)...)
Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(C)c2ccccc12)C(=O)C1CC1C(O)=O
Show InChI InChI=1/C25H25N3O4/c1-14-7-10-20(17-6-4-3-5-16(14)17)28(13-15-8-9-15)21-12-26-23(27-24(21)32-2)22(29)18-11-19(18)25(30)31/h3-7,10,12,15,18-19H,8-9,11,13H2,1-2H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223226
PNG
(2-(5-((4-Chloronaphthalen-1-yl)(cyclopropylmethyl)...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12
Show InChI InChI=1/C25H23ClN2O4/c1-32-22-10-15(12-27-23(22)24(29)18-11-19(18)25(30)31)28(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,30,31)
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n/an/a 18n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223232
PNG
(2-(5-((Cyclopropylmethyl)(4-fluoronaphthalen-1-yl)...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(F)c2ccccc12
Show InChI InChI=1/C25H23FN2O4/c1-32-22-10-15(12-27-23(22)24(29)18-11-19(18)25(30)31)28(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,30,31)
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n/an/a 18n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223226
PNG
(2-(5-((4-Chloronaphthalen-1-yl)(cyclopropylmethyl)...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12
Show InChI InChI=1/C25H23ClN2O4/c1-32-22-10-15(12-27-23(22)24(29)18-11-19(18)25(30)31)28(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,30,31)
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Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223232
PNG
(2-(5-((Cyclopropylmethyl)(4-fluoronaphthalen-1-yl)...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(F)c2ccccc12
Show InChI InChI=1/C25H23FN2O4/c1-32-22-10-15(12-27-23(22)24(29)18-11-19(18)25(30)31)28(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,30,31)
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Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223259
PNG
(2-(5-((Cyclopropylmethyl)(4-(trifluoromethyl)napht...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(c2ccccc12)C(F)(F)F
Show InChI InChI=1/C26H23F3N2O4/c1-35-22-10-15(12-30-23(22)24(32)18-11-19(18)25(33)34)31(13-14-6-7-14)21-9-8-20(26(27,28)29)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,33,34)
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n/an/a 19n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223283
PNG
(2-(5-((Cyclopropylmethyl)(4-fluoronaphthalen-1-yl)...)
Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(F)c2ccccc12)C(=O)C1CC1C(O)=O
Show InChI InChI=1/C24H22FN3O4/c1-32-23-20(11-26-22(27-23)21(29)16-10-17(16)24(30)31)28(12-13-6-7-13)19-9-8-18(25)14-4-2-3-5-15(14)19/h2-5,8-9,11,13,16-17H,6-7,10,12H2,1H3,(H,30,31)
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n/an/a 19n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM310005
PNG
(2-(5-((Cyclopropylmethyl)(4-(trifluoromethyl)napht...)
Show SMILES CCOC(=O)C1CC1C(=O)c1ncc(cc1OC)N(CC1CC1)c1ccc(c2ccccc12)C(F)(F)F
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Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223283
PNG
(2-(5-((Cyclopropylmethyl)(4-fluoronaphthalen-1-yl)...)
Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(F)c2ccccc12)C(=O)C1CC1C(O)=O
Show InChI InChI=1/C24H22FN3O4/c1-32-23-20(11-26-22(27-23)21(29)16-10-17(16)24(30)31)28(12-13-6-7-13)19-9-8-18(25)14-4-2-3-5-15(14)19/h2-5,8-9,11,13,16-17H,6-7,10,12H2,1H3,(H,30,31)
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Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223239
PNG
(2-(5-((Cyclopropylmethyl)(4-methylbenzyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(C)cc1
Show InChI InChI=1/C23H26N2O4/c1-14-3-5-15(6-4-14)12-25(13-16-7-8-16)17-9-20(29-2)21(24-11-17)22(26)18-10-19(18)23(27)28/h3-6,9,11,16,18-19H,7-8,10,12-13H2,1-2H3,(H,27,28)
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n/an/a 22n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223239
PNG
(2-(5-((Cyclopropylmethyl)(4-methylbenzyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(C)cc1
Show InChI InChI=1/C23H26N2O4/c1-14-3-5-15(6-4-14)12-25(13-16-7-8-16)17-9-20(29-2)21(24-11-17)22(26)18-10-19(18)23(27)28/h3-6,9,11,16,18-19H,7-8,10,12-13H2,1-2H3,(H,27,28)
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Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223234
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-3...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1cccc2ccccc12
Show InChI InChI=1/C25H24N2O4/c1-31-22-11-17(13-26-23(22)24(28)19-12-20(19)25(29)30)27(14-15-9-10-15)21-8-4-6-16-5-2-3-7-18(16)21/h2-8,11,13,15,19-20H,9-10,12,14H2,1H3,(H,29,30)
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J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223234
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-3...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1cccc2ccccc12
Show InChI InChI=1/C25H24N2O4/c1-31-22-11-17(13-26-23(22)24(28)19-12-20(19)25(29)30)27(14-15-9-10-15)21-8-4-6-16-5-2-3-7-18(16)21/h2-8,11,13,15,19-20H,9-10,12,14H2,1H3,(H,29,30)
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n/an/a 24n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223262
PNG
(2-(5-((Cyclopropylmethyl)(5-(trifluoromethyl)napht...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1cccc2c(cccc12)C(F)(F)F
Show InChI InChI=1/C26H23F3N2O4/c1-35-22-10-15(12-30-23(22)24(32)18-11-19(18)25(33)34)31(13-14-8-9-14)21-7-3-4-16-17(21)5-2-6-20(16)26(27,28)29/h2-7,10,12,14,18-19H,8-9,11,13H2,1H3,(H,33,34)
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n/an/a 25n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223262
PNG
(2-(5-((Cyclopropylmethyl)(5-(trifluoromethyl)napht...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1cccc2c(cccc12)C(F)(F)F
Show InChI InChI=1/C26H23F3N2O4/c1-35-22-10-15(12-30-23(22)24(32)18-11-19(18)25(33)34)31(13-14-8-9-14)21-7-3-4-16-17(21)5-2-6-20(16)26(27,28)29/h2-7,10,12,14,18-19H,8-9,11,13H2,1H3,(H,33,34)
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J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223271
PNG
(2-(4-((Cyclopropylmethyl)(4-fluoronaphthalen-1-yl)...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(F)c2ccccc12
Show InChI InChI=1/C26H24FNO4/c1-32-24-12-16(8-9-19(24)25(29)20-13-21(20)26(30)31)28(14-15-6-7-15)23-11-10-22(27)17-4-2-3-5-18(17)23/h2-5,8-12,15,20-21H,6-7,13-14H2,1H3,(H,30,31)
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n/an/a 26n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223271
PNG
(2-(4-((Cyclopropylmethyl)(4-fluoronaphthalen-1-yl)...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(F)c2ccccc12
Show InChI InChI=1/C26H24FNO4/c1-32-24-12-16(8-9-19(24)25(29)20-13-21(20)26(30)31)28(14-15-6-7-15)23-11-10-22(27)17-4-2-3-5-18(17)23/h2-5,8-12,15,20-21H,6-7,13-14H2,1H3,(H,30,31)
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J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223237
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-2-yl)amino)-3...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2ccccc2c1
Show InChI InChI=1/C25H24N2O4/c1-31-22-11-19(13-26-23(22)24(28)20-12-21(20)25(29)30)27(14-15-6-7-15)18-9-8-16-4-2-3-5-17(16)10-18/h2-5,8-11,13,15,20-21H,6-7,12,14H2,1H3,(H,29,30)
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n/an/a 28n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223237
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-2-yl)amino)-3...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2ccccc2c1
Show InChI InChI=1/C25H24N2O4/c1-31-22-11-19(13-26-23(22)24(28)20-12-21(20)25(29)30)27(14-15-6-7-15)18-9-8-16-4-2-3-5-17(16)10-18/h2-5,8-11,13,15,20-21H,6-7,12,14H2,1H3,(H,29,30)
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J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223263
PNG
(2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2cccc3CCc1c23
Show InChI InChI=1/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-8-17-4-2-3-16-7-9-19(22)24(16)17/h2-4,8,10-11,13,15,20-21H,5-7,9,12,14H2,1H3,(H,31,32)
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Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223263
PNG
(2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2cccc3CCc1c23
Show InChI InChI=1/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-8-17-4-2-3-16-7-9-19(22)24(16)17/h2-4,8,10-11,13,15,20-21H,5-7,9,12,14H2,1H3,(H,31,32)
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n/an/a 31n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223227
PNG
(2-(5-((4-Chlorobenzyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H21ClN2O4/c1-28-18-8-15(10-23-19(18)20(25)16-9-17(16)21(26)27)24(11-12-2-3-12)14-6-4-13(22)5-7-14/h4-8,10,12,16-17H,2-3,9,11H2,1H3,(H,26,27)
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n/an/a 34n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223242
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-2-ylmethyl)am...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc2ccccc2c1
Show InChI InChI=1/C26H26N2O4/c1-32-23-11-20(13-27-24(23)25(29)21-12-22(21)26(30)31)28(14-16-6-7-16)15-17-8-9-18-4-2-3-5-19(18)10-17/h2-5,8-11,13,16,21-22H,6-7,12,14-15H2,1H3,(H,30,31)
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J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223242
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-2-ylmethyl)am...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc2ccccc2c1
Show InChI InChI=1/C26H26N2O4/c1-32-23-11-20(13-27-24(23)25(29)21-12-22(21)26(30)31)28(14-16-6-7-16)15-17-8-9-18-4-2-3-5-19(18)10-17/h2-5,8-11,13,16,21-22H,6-7,12,14-15H2,1H3,(H,30,31)
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n/an/a 34n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM309984
PNG
(2-(5-((4-Chlorobenzyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(Cl)cc1
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J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223236
PNG
(2-(5-((Cyclopropylmethyl)(4-methylnaphthalen-1-yl)...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(C)c2ccccc12
Show InChI InChI=1/C26H26N2O4/c1-15-7-10-22(19-6-4-3-5-18(15)19)28(14-16-8-9-16)17-11-23(32-2)24(27-13-17)25(29)20-12-21(20)26(30)31/h3-7,10-11,13,16,20-21H,8-9,12,14H2,1-2H3,(H,30,31)
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J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223236
PNG
(2-(5-((Cyclopropylmethyl)(4-methylnaphthalen-1-yl)...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(C)c2ccccc12
Show InChI InChI=1/C26H26N2O4/c1-15-7-10-22(19-6-4-3-5-18(15)19)28(14-16-8-9-16)17-11-23(32-2)24(27-13-17)25(29)20-12-21(20)26(30)31/h3-7,10-11,13,16,20-21H,8-9,12,14H2,1-2H3,(H,30,31)
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n/an/a 35n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223230
PNG
(2-(5-((4-Chlorophenyl)((1-methylcyclopropyl)methyl...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1(C)CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H23ClN2O4/c1-22(7-8-22)12-25(14-5-3-13(23)4-6-14)15-9-18(29-2)19(24-11-15)20(26)16-10-17(16)21(27)28/h3-6,9,11,16-17H,7-8,10,12H2,1-2H3,(H,27,28)
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J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223230
PNG
(2-(5-((4-Chlorophenyl)((1-methylcyclopropyl)methyl...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1(C)CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H23ClN2O4/c1-22(7-8-22)12-25(14-5-3-13(23)4-6-14)15-9-18(29-2)19(24-11-15)20(26)16-10-17(16)21(27)28/h3-6,9,11,16-17H,7-8,10,12H2,1-2H3,(H,27,28)
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n/an/a 38n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223243
PNG
(2-(5-((3-Chlorobenzyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc(Cl)c1
Show InChI InChI=1/C22H23ClN2O4/c1-29-19-8-16(10-24-20(19)21(26)17-9-18(17)22(27)28)25(11-13-5-6-13)12-14-3-2-4-15(23)7-14/h2-4,7-8,10,13,17-18H,5-6,9,11-12H2,1H3,(H,27,28)
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n/an/a 39n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223286
PNG
((2-(1H-Tetrazol-5-yl)cyclopropyl)(5-((cyclopropylm...)
Show SMILES COc1cc(cnc1C(=O)C1CC1c1nnn[nH]1)N(CC1CC1)c1ccc(F)c2ccccc12
Show InChI InChI=1/C25H23FN6O2/c1-34-22-10-15(12-27-23(22)24(33)18-11-19(18)25-28-30-31-29-25)32(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,28,29,30,31)
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n/an/a 39n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223243
PNG
(2-(5-((3-Chlorobenzyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc(Cl)c1
Show InChI InChI=1/C22H23ClN2O4/c1-29-19-8-16(10-24-20(19)21(26)17-9-18(17)22(27)28)25(11-13-5-6-13)12-14-3-2-4-15(23)7-14/h2-4,7-8,10,13,17-18H,5-6,9,11-12H2,1H3,(H,27,28)
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n/an/a 39n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223286
PNG
((2-(1H-Tetrazol-5-yl)cyclopropyl)(5-((cyclopropylm...)
Show SMILES COc1cc(cnc1C(=O)C1CC1c1nnn[nH]1)N(CC1CC1)c1ccc(F)c2ccccc12
Show InChI InChI=1/C25H23FN6O2/c1-34-22-10-15(12-27-23(22)24(33)18-11-19(18)25-28-30-31-29-25)32(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,28,29,30,31)
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n/an/a 39n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223273
PNG
(2-(4-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-2...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1cccc2ccccc12
Show InChI InChI=1/C26H25NO4/c1-31-24-13-18(11-12-20(24)25(28)21-14-22(21)26(29)30)27(15-16-9-10-16)23-8-4-6-17-5-2-3-7-19(17)23/h2-8,11-13,16,21-22H,9-10,14-15H2,1H3,(H,29,30)
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n/an/a 46n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223273
PNG
(2-(4-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-2...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1cccc2ccccc12
Show InChI InChI=1/C26H25NO4/c1-31-24-13-18(11-12-20(24)25(28)21-14-22(21)26(29)30)27(15-16-9-10-16)23-8-4-6-17-5-2-3-7-19(17)23/h2-8,11-13,16,21-22H,9-10,14-15H2,1H3,(H,29,30)
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n/an/a 46n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223231
PNG
(2-(5-((2,3-Dihydro-1H-inden-5-yl)((1-methylcyclopr...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1(C)CC1)c1ccc2CCCc2c1
Show InChI InChI=1/C25H28N2O4/c1-25(8-9-25)14-27(17-7-6-15-4-3-5-16(15)10-17)18-11-21(31-2)22(26-13-18)23(28)19-12-20(19)24(29)30/h6-7,10-11,13,19-20H,3-5,8-9,12,14H2,1-2H3,(H,29,30)
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n/an/a 47n/an/an/an/a7.8n/a



Astrazeneca Ab



Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM309977
PNG
(US9657001, 6)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCCc2c1
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n/an/a 47n/an/an/an/an/an/a



Saarland University





J Med Chem 48: 1796-805 (2005)

More data for this
Ligand-Target Pair
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