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USPatent US20160326143

Compile data set for download or QSAR
Found 65 hits of Enzyme Inhibition Constant Data   
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/a7.5n/a



Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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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US Patent
n/an/a 0.289n/an/an/an/a7.5n/a



Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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
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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223282
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-4...)
Show SMILES COc1nc(ncc1N(CC1CC1)c1cccc2ccccc12)C(=O)C1CC1C(O)=O
Show InChI InChI=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223250
PNG
(2-(5-((Cyclopropylmethyl)(naphthalen-1-ylmethyl)am...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc2ccccc12
Show InChI InChI=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223285
PNG
((2-(1H-Tetrazol-5-yl)cyclopropyl)(5-((cyclopropylm...)
Show SMILES COc1cc(cnc1C(=O)C1CC1c1nnn[nH]1)N(CC1CC1)c1cccc2ccccc12
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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		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=1S/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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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223267
PNG
(2-(5-((4-Chlorophenyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(=O)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N(CC1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClF3N3O6S/c1-40-24-12-19(35(15-16-2-3-16)18-6-4-17(29)5-7-18)14-33-25(24)26(36)22-13-23(22)27(37)34-42(38,39)21-10-8-20(9-11-21)41-28(30,31)32/h4-12,14,16,22-23H,2-3,13,15H2,1H3,(H,34,37)
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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223233
PNG
(2-(5-((Cyclopropylmethyl)(8-methylquinolin-5-yl)am...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(C)c2ncccc12
Show InChI InChI=1S/C25H25N3O4/c1-14-5-8-20(17-4-3-9-26-22(14)17)28(13-15-6-7-15)16-10-21(32-2)23(27-12-16)24(29)18-11-19(18)25(30)31/h3-5,8-10,12,15,18-19H,6-7,11,13H2,1-2H3,(H,30,31)
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US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223256
PNG
(2-(5-((Cyclopropylmethyl)(2-fluoro-3-(trifluoromet...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O4/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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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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223265
PNG
(2-(5-((4-Chlorophenyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(=O)NS(=O)(=O)C1CC1)N(CC1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O5S/c1-33-21-10-17(28(13-14-2-3-14)16-6-4-15(25)5-7-16)12-26-22(21)23(29)19-11-20(19)24(30)27-34(31,32)18-8-9-18/h4-7,10,12,14,18-20H,2-3,8-9,11,13H2,1H3,(H,27,30)
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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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223277
PNG
(2-(4-((Cyclopropylmethyl)(8-methylquinolin-5-yl)am...)
Show SMILES COc1cc(ccc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc(C)c2ncccc12
Show InChI InChI=1S/C26H26N2O4/c1-15-5-10-22(18-4-3-11-27-24(15)18)28(14-16-6-7-16)17-8-9-19(23(12-17)32-2)25(29)20-13-21(20)26(30)31/h3-5,8-12,16,20-21H,6-7,13-14H2,1-2H3,(H,30,31)
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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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223254
PNG
(2-(5-((Cyclopropylmethyl)(2,3,4-trifluorobenzyl)am...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(F)c(F)c1F
Show InChI InChI=1S/C22H21F3N2O4/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(23)19(25)18(12)24/h4-6,8,11,14-15H,2-3,7,9-10H2,1H3,(H,29,30)
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n/an/a 370n/an/an/an/a7.8n/a



Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223279
PNG
(2-(5-((4-Chlorophenyl)(cyclopropylmethyl)amino)pic...)
Show SMILES OC(=O)C1CC1C(=O)c1ccc(cn1)N(CC1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O3/c21-13-3-5-14(6-4-13)23(11-12-1-2-12)15-7-8-18(22-10-15)19(24)16-9-17(16)20(25)26/h3-8,10,12,16-17H,1-2,9,11H2,(H,25,26)
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n/an/a 424n/an/an/an/a7.8n/a



Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223235
PNG
(2-(5-((Cyclopropylmethyl)(4-methylquinolin-8-yl)am...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1cccc2c(C)ccnc12
Show InChI InChI=1S/C25H25N3O4/c1-14-8-9-26-22-17(14)4-3-5-20(22)28(13-15-6-7-15)16-10-21(32-2)23(27-12-16)24(29)18-11-19(18)25(30)31/h3-5,8-10,12,15,18-19H,6-7,11,13H2,1-2H3,(H,30,31)
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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223251
PNG
(2-(5-((Cyclopropylmethyl)((6-fluoro-4H-benzo[d][1,...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cc(F)cc2COCOc12
Show InChI InChI=1S/C24H25FN2O6/c1-31-20-6-17(8-26-21(20)22(28)18-7-19(18)24(29)30)27(9-13-2-3-13)10-14-4-16(25)5-15-11-32-12-33-23(14)15/h4-6,8,13,18-19H,2-3,7,9-12H2,1H3,(H,29,30)
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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223252
PNG
(2-(5-(((6-Chlorobenzo[d][1,3]dioxol-4-yl)methyl)(c...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1cc(Cl)cc2OCOc12
Show InChI InChI=1S/C23H23ClN2O6/c1-30-18-6-15(8-25-20(18)21(27)16-7-17(16)23(28)29)26(9-12-2-3-12)10-13-4-14(24)5-19-22(13)32-11-31-19/h4-6,8,12,16-17H,2-3,7,9-11H2,1H3,(H,28,29)
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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223280
PNG
(2-(5-((4-Chlorobenzyl)(cyclopropylmethyl)amino)pic...)
Show SMILES OC(=O)C1CC1C(=O)c1ccc(cn1)N(CC1CC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN2O3/c22-15-5-3-14(4-6-15)12-24(11-13-1-2-13)16-7-8-19(23-10-16)20(25)17-9-18(17)21(26)27/h3-8,10,13,17-18H,1-2,9,11-12H2,(H,26,27)
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n/an/a 636n/an/an/an/a7.8n/a



Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223241
PNG
(2-(5-((Cyclopropylmethyl)(2,6-dichlorobenzyl)amino...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H22Cl2N2O4/c1-30-19-7-13(9-25-20(19)21(27)14-8-15(14)22(28)29)26(10-12-5-6-12)11-16-17(23)3-2-4-18(16)24/h2-4,7,9,12,14-15H,5-6,8,10-11H2,1H3,(H,28,29)
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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223257
PNG
(2-(5-((Cyclopropylmethyl)(2,6-difluoro-3-methylben...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1c(F)ccc(C)c1F
Show InChI InChI=1S/C23H24F2N2O4/c1-12-3-6-18(24)17(20(12)25)11-27(10-13-4-5-13)14-7-19(31-2)21(26-9-14)22(28)15-8-16(15)23(29)30/h3,6-7,9,13,15-16H,4-5,8,10-11H2,1-2H3,(H,29,30)
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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223248
PNG
(2-(5-((Cyclopropylmethyl)((2-methylnaphthalen-1-yl...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1c(C)ccc2ccccc12
Show InChI InChI=1S/C27H28N2O4/c1-16-7-10-18-5-3-4-6-20(18)23(16)15-29(14-17-8-9-17)19-11-24(33-2)25(28-13-19)26(30)21-12-22(21)27(31)32/h3-7,10-11,13,17,21-22H,8-9,12,14-15H2,1-2H3,(H,31,32)
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Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM223249
PNG
(2-(5-(([1,1′-Biphenyl]-4-ylmethyl)(cycloprop...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-34-25-13-22(15-29-26(25)27(31)23-14-24(23)28(32)33)30(16-18-7-8-18)17-19-9-11-21(12-10-19)20-5-3-2-4-6-20/h2-6,9-13,15,18,23-24H,7-8,14,16-17H2,1H3,(H,32,33)
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n/an/a 2.18E+3n/an/an/an/a7.8n/a



Astrazeneca Ab

US Patent


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)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%