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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with Target = 'Leukotriene C4 synthase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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



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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223282
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-4...)
Show SMILES COc1nc(ncc1N(CC1CC1)c1cccc2ccccc12)C(=O)C1CC1C(O)=O
Show InChI InChI=1/C24H23N3O4/c1-31-23-20(12-25-22(26-23)21(28)17-11-18(17)24(29)30)27(13-14-9-10-14)19-8-4-6-15-5-2-3-7-16(15)19/h2-8,12,14,17-18H,9-11,13H2,1H3,(H,29,30)
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n/an/a 50n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223246
PNG
(2-(5-((Cyclopropylmethyl)(2-fluoro-4-(trifluoromet...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1/C23H22F4N2O4/c1-33-19-7-15(9-28-20(19)21(30)16-8-17(16)22(31)32)29(10-12-2-3-12)11-13-4-5-14(6-18(13)24)23(25,26)27/h4-7,9,12,16-17H,2-3,8,10-11H2,1H3,(H,31,32)
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n/an/a 53n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223269
PNG
(2-(6-(Cyclopropylmethyl)(4-methylnaphthalen-1-yl)a...)
Show SMILES COc1cc(ncc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(C)c2ccccc12
Show InChI InChI=1/C26H26N2O4/c1-15-7-10-22(18-6-4-3-5-17(15)18)28(14-16-8-9-16)24-12-23(32-2)21(13-27-24)25(29)19-11-20(19)26(30)31/h3-7,10,12-13,16,19-20H,8-9,11,14H2,1-2H3,(H,30,31)
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n/an/a 56n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223272
PNG
(2-(4-((4-Chloronaphthalen-1-yl)(cyclopropylmethyl)...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12
Show InChI InChI=1/C26H24ClNO4/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 61n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223270
PNG
(2-(4-((Cyclopropylmethyl)(4-methylnaphthalen-1-yl)...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(C)c2ccccc12
Show InChI InChI=1/C27H27NO4/c1-16-7-12-24(20-6-4-3-5-19(16)20)28(15-17-8-9-17)18-10-11-21(25(13-18)32-2)26(29)22-14-23(22)27(30)31/h3-7,10-13,17,22-23H,8-9,14-15H2,1-2H3,(H,30,31)
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n/an/a 62n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223274
PNG
(2-(4-((4-Chlorophenyl)(cyclopropylmethyl)amino)-2-...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H22ClNO4/c1-28-20-10-16(8-9-17(20)21(25)18-11-19(18)22(26)27)24(12-13-2-3-13)15-6-4-14(23)5-7-15/h4-10,13,18-19H,2-3,11-12H2,1H3,(H,26,27)
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n/an/a 65n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223250
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-1-ylmethyl)am...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc2ccccc12
Show InChI InChI=1/C26H26N2O4/c1-32-23-11-19(13-27-24(23)25(29)21-12-22(21)26(30)31)28(14-16-9-10-16)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,11,13,16,21-22H,9-10,12,14-15H2,1H3,(H,30,31)
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n/an/a 66n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223253
PNG
(2-(5-((Cyclopropylmethyl)(2,3-dimethylbenzyl)amino...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc(C)c1C
Show InChI InChI=1/C24H28N2O4/c1-14-5-4-6-17(15(14)2)13-26(12-16-7-8-16)18-9-21(30-3)22(25-11-18)23(27)19-10-20(19)24(28)29/h4-6,9,11,16,19-20H,7-8,10,12-13H2,1-3H3,(H,28,29)
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n/an/a 67n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223276
PNG
(2-(4-((4-Chlorobenzyl)(cyclopropylmethyl)amino)-2-...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H24ClNO4/c1-29-21-10-17(8-9-18(21)22(26)19-11-20(19)23(27)28)25(12-14-2-3-14)13-15-4-6-16(24)7-5-15/h4-10,14,19-20H,2-3,11-13H2,1H3,(H,27,28)
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n/an/a 68n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223264
PNG
(2-(5-((4-Chlorophenyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(=O)NS(=O)(=O)c1ccccc1)N(CC1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C27H26ClN3O5S/c1-36-24-13-20(31(16-17-7-8-17)19-11-9-18(28)10-12-19)15-29-25(24)26(32)22-14-23(22)27(33)30-37(34,35)21-5-3-2-4-6-21/h2-6,9-13,15,17,22-23H,7-8,14,16H2,1H3,(H,30,33)
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n/an/a 68n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223268
PNG
(2-(5-((4-Chlorophenyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(=O)NS(=O)(=O)c1ccccc1F)N(CC1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C27H25ClFN3O5S/c1-37-23-12-19(32(15-16-6-7-16)18-10-8-17(28)9-11-18)14-30-25(23)26(33)20-13-21(20)27(34)31-38(35,36)24-5-3-2-4-22(24)29/h2-5,8-12,14,16,20-21H,6-7,13,15H2,1H3,(H,31,34)
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n/an/a 74n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223275
PNG
(2-(4-((Cyclopropylmethyl)(3,4-dimethylphenyl)amino...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(C)c(C)c1
Show InChI InChI=1/C24H27NO4/c1-14-4-7-17(10-15(14)2)25(13-16-5-6-16)18-8-9-19(22(11-18)29-3)23(26)20-12-21(20)24(27)28/h4,7-11,16,20-21H,5-6,12-13H2,1-3H3,(H,27,28)
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n/an/a 75n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223266
PNG
(2-(5-((4-Chlorophenyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)C1CC1C(=O)c1ncc(cc1OC)N(CC1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C28H28ClN3O6S/c1-37-21-9-11-22(12-10-21)39(35,36)31-28(34)24-14-23(24)27(33)26-25(38-2)13-20(15-30-26)32(16-17-3-4-17)19-7-5-18(29)6-8-19/h5-13,15,17,23-24H,3-4,14,16H2,1-2H3,(H,31,34)
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n/an/a 81n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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 86n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223245
PNG
(2-(5-((Cyclopropylmethyl)(2-methyl-3-(trifluoromet...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1/C24H25F3N2O4/c1-13-15(4-3-5-19(13)24(25,26)27)12-29(11-14-6-7-14)16-8-20(33-2)21(28-10-16)22(30)17-9-18(17)23(31)32/h3-5,8,10,14,17-18H,6-7,9,11-12H2,1-2H3,(H,31,32)
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n/an/a 88n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223285
PNG
((2-(1H-Tetrazol-5-yl)cyclopropyl)(5-((cyclopropylm...)
Show SMILES COc1cc(cnc1C(=O)C1CC1c1nnn[nH]1)N(CC1CC1)c1cccc2ccccc12
Show InChI InChI=1/C25H24N6O2/c1-33-22-11-17(13-26-23(22)24(32)19-12-20(19)25-27-29-30-28-25)31(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,27,28,29,30)
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n/an/a 96n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223244
PNG
(2-(5-((Cyclopropylmethyl)(4-fluorobenzyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(F)cc1
Show InChI InChI=1/C22H23FN2O4/c1-29-19-8-16(10-24-20(19)21(26)17-9-18(17)22(27)28)25(11-13-2-3-13)12-14-4-6-15(23)7-5-14/h4-8,10,13,17-18H,2-3,9,11-12H2,1H3,(H,27,28)
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n/an/a 105n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223247
PNG
(2-(5-((2-Chloro-3-(trifluoromethyl)benzyl)(cyclopr...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C23H22ClF3N2O4/c1-33-18-7-14(9-28-20(18)21(30)15-8-16(15)22(31)32)29(10-12-5-6-12)11-13-3-2-4-17(19(13)24)23(25,26)27/h2-4,7,9,12,15-16H,5-6,8,10-11H2,1H3,(H,31,32)
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n/an/a 112n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223228
PNG
(2-(5-((4-Chlorophenyl)((1-(trifluoromethyl)cyclopr...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(C(C1CC1)C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1/C22H20ClF3N2O4/c1-32-17-8-14(10-27-18(17)19(29)15-9-16(15)21(30)31)28(13-6-4-12(23)5-7-13)20(11-2-3-11)22(24,25)26/h4-8,10-11,15-16,20H,2-3,9H2,1H3,(H,30,31)
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n/an/a 149n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223255
PNG
(2-(5-((3-Chloro-2,4-difluorobenzyl)(cyclopropylmet...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(F)c(Cl)c1F
Show InChI InChI=1/C22H21ClF2N2O4/c1-31-17-6-13(8-26-20(17)21(28)14-7-15(14)22(29)30)27(9-11-2-3-11)10-12-4-5-16(24)18(23)19(12)25/h4-6,8,11,14-15H,2-3,7,9-10H2,1H3,(H,29,30)
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n/an/a 152n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223278
PNG
(2-(4-((Cyclopropylmethyl)(5-(trifluoromethyl)quino...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(c2cccnc12)C(F)(F)F
Show InChI InChI=1/C26H23F3N2O4/c1-35-22-11-15(6-7-17(22)24(32)18-12-19(18)25(33)34)31(13-14-4-5-14)21-9-8-20(26(27,28)29)16-3-2-10-30-23(16)21/h2-3,6-11,14,18-19H,4-5,12-13H2,1H3,(H,33,34)
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n/an/a 152n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223240
PNG
(2-(5-((Cyclopropylmethyl)(3-methylbenzyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc(C)c1
Show InChI InChI=1/C23H26N2O4/c1-14-4-3-5-16(8-14)13-25(12-15-6-7-15)17-9-20(29-2)21(24-11-17)22(26)18-10-19(18)23(27)28/h3-5,8-9,11,15,18-19H,6-7,10,12-13H2,1-2H3,(H,27,28)
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n/an/a 171n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223258
PNG
(2-(5-((Cyclopropylmethyl)(2,3-difluoro-4-methylben...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(C)c(F)c1F
Show InChI InChI=1/C23H24F2N2O4/c1-12-3-6-14(20(25)19(12)24)11-27(10-13-4-5-13)15-7-18(31-2)21(26-9-15)22(28)16-8-17(16)23(29)30/h3,6-7,9,13,16-17H,4-5,8,10-11H2,1-2H3,(H,29,30)
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n/an/a 185n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223260
PNG
(2-(5-((Cyclopropylmethyl)(5-(trifluoromethyl)quino...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(c2cccnc12)C(F)(F)F
Show InChI InChI=1/C25H22F3N3O4/c1-35-20-9-14(11-30-22(20)23(32)16-10-17(16)24(33)34)31(12-13-4-5-13)19-7-6-18(25(26,27)28)15-3-2-8-29-21(15)19/h2-3,6-9,11,13,16-17H,4-5,10,12H2,1H3,(H,33,34)
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n/an/a 229n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223229
PNG
(2-(5-((4-Chlorophenyl)((1-(methoxymethyl)cycloprop...)
Show SMILES COCC(C1CC1)N(c1ccc(Cl)cc1)c1cnc(C(=O)C2CC2C(O)=O)c(OC)c1
Show InChI InChI=1/C23H25ClN2O5/c1-30-12-19(13-3-4-13)26(15-7-5-14(24)6-8-15)16-9-20(31-2)21(25-11-16)22(27)17-10-18(17)23(28)29/h5-9,11,13,17-19H,3-4,10,12H2,1-2H3,(H,28,29)
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n/an/a 263n/an/an/an/an/an/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...


US Patent US20160326143 (2016)

More data for this
Ligand-Target Pair
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