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Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'nilsson' and Initial = 'p'   
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))
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

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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

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))
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



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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

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))
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

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109578
PNG
(CHEMBL3604156)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Br)c(Cl)c1
Show InChI InChI=1S/C10H5BrCl2FN3O/c11-7-8(16-17-9(7)13)10(18)15-6-2-1-4(14)3-5(6)12/h1-3H,(H,15,18)(H,16,17)
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n/an/a 1n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109729
PNG
(CHEMBL3604185)
Show SMILES Clc1[nH]nc(c1Cl)-c1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C10H4Cl3N3O/c11-4-1-2-5-6(3-4)17-10(14-5)8-7(12)9(13)16-15-8/h1-3H,(H,15,16)
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n/an/a 2n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109751
PNG
(CHEMBL3604184)
Show SMILES Clc1cc(n[nH]1)-c1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C10H5Cl2N3O/c11-5-1-2-6-8(3-5)16-10(13-6)7-4-9(12)15-14-7/h1-4H,(H,14,15)
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n/an/a 4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
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



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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

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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109578
PNG
(CHEMBL3604156)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Br)c(Cl)c1
Show InChI InChI=1S/C10H5BrCl2FN3O/c11-7-8(16-17-9(7)13)10(18)15-6-2-1-4(14)3-5(6)12/h1-3H,(H,15,18)(H,16,17)
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n/an/a 10n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109746
PNG
(CHEMBL3604180)
Show SMILES Clc1ccc2nc(oc2c1)-c1cc[nH]n1
Show InChI InChI=1S/C10H6ClN3O/c11-6-1-2-7-9(5-6)15-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14)
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n/an/a 13n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109814
PNG
(CHEMBL3604153)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Cl)c(Cl)c1
Show InChI InChI=1S/C10H5Cl3FN3O/c11-5-3-4(14)1-2-6(5)15-10(18)8-7(12)9(13)17-16-8/h1-3H,(H,15,18)(H,16,17)
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n/an/a 14n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50105870
PNG
(CHEMBL3597768)
Show SMILES Fc1ccc(NC(=O)c2ccn(n2)C(=S)Nc2ccc3OCOc3c2)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN4O3S/c19-12-7-10(20)1-3-13(12)22-17(25)14-5-6-24(23-14)18(28)21-11-2-4-15-16(8-11)27-9-26-15/h1-8H,9H2,(H,21,28)(H,22,25)
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n/an/a 17n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 using arachidonic acid as substrate by cell based assay


Bioorg Med Chem Lett 25: 3017-23 (2015)


BindingDB Entry DOI: 10.7270/Q2F191G3
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

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=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

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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

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=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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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=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

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=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

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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/an/an/a



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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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ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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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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))
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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n/an/a 19n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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/an/an/a



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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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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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109746
PNG
(CHEMBL3604180)
Show SMILES Clc1ccc2nc(oc2c1)-c1cc[nH]n1
Show InChI InChI=1S/C10H6ClN3O/c11-6-1-2-7-9(5-6)15-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14)
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n/an/a 20n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109813
PNG
(CHEMBL3604152)
Show SMILES Fc1ccc(NC(=O)c2cc(Cl)[nH]n2)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2FN3O/c11-6-3-5(13)1-2-7(6)14-10(17)8-4-9(12)16-15-8/h1-4H,(H,14,17)(H,15,16)
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n/an/a 22n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
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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ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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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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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109568
PNG
(CHEMBL3604132)
Show SMILES Fc1ccc(NC(=O)c2cc[nH]n2)c(Cl)c1
Show InChI InChI=1S/C10H7ClFN3O/c11-7-5-6(12)1-2-8(7)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
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Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
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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ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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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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=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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ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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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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=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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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=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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ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109539
PNG
(CHEMBL3604138)
Show SMILES Clc1ccc(NC(=O)c2cc[nH]n2)nc1
Show InChI InChI=1S/C9H7ClN4O/c10-6-1-2-8(11-5-6)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,11,13,15)
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n/an/a 26n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109643
PNG
(CHEMBL3604158)
Show SMILES Fc1ccc(NC(=O)c2cc(I)[nH]n2)c(Cl)c1
Show InChI InChI=1S/C10H6ClFIN3O/c11-6-3-5(12)1-2-7(6)14-10(17)8-4-9(13)16-15-8/h1-4H,(H,14,17)(H,15,16)
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n/an/a 27n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
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

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=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

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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

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=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

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109814
PNG
(CHEMBL3604153)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Cl)c(Cl)c1
Show InChI InChI=1S/C10H5Cl3FN3O/c11-5-3-4(14)1-2-6(5)15-10(18)8-7(12)9(13)17-16-8/h1-3H,(H,15,18)(H,16,17)
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n/an/a 32n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109730
PNG
(CHEMBL3604151)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2FN3O/c11-6-3-5(13)1-2-8(6)15-10(17)9-7(12)4-14-16-9/h1-4H,(H,14,16)(H,15,17)
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n/an/a 33n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
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

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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109729
PNG
(CHEMBL3604185)
Show SMILES Clc1[nH]nc(c1Cl)-c1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C10H4Cl3N3O/c11-4-1-2-5-6(3-4)17-10(14-5)8-7(12)9(13)16-15-8/h1-3H,(H,15,16)
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Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)


BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
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