BindingDB logo
myBDB logout

Patent code US9657001

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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.248n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.289n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.483n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.658n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM310005
PNG
(2-(5-((Cyclopropylmethyl)(4-(trifluoromethyl)napht...)
Show SMILES CCOC(=O)C1CC1C(=O)c1ncc(cc1OC)N(CC1CC1)c1ccc(c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C28H27F3N2O4/c1-3-37-27(35)21-13-20(21)26(34)25-24(36-2)12-17(14-32-25)33(15-16-8-9-16)23-11-10-22(28(29,30)31)18-6-4-5-7-19(18)23/h4-7,10-12,14,16,20-21H,3,8-9,13,15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM309984
PNG
(2-(5-((4-Chlorobenzyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN2O4/c1-29-19-8-16(10-24-20(19)21(26)17-9-18(17)22(27)28)25(11-13-2-3-13)12-14-4-6-15(23)7-5-14/h4-8,10,13,17-18H,2-3,9,11-12H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=1S/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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM309977
PNG
(US9657001, 6)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCCc2c1
Show InChI InChI=1S/C24H26N2O4/c1-30-21-10-18(12-25-22(21)23(27)19-11-20(19)24(28)29)26(13-14-5-6-14)17-8-7-15-3-2-4-16(15)9-17/h7-10,12,14,19-20H,2-6,11,13H2,1H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 53n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 61n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 65n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 66n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 74n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 81n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 86n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 88n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=1S/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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 96n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 105n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 112n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM309974
PNG
(US9657001, 3)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1(CC1)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)20(30)31)28(13-4-2-12(23)3-5-13)11-21(6-7-21)22(24,25)26/h2-5,8,10,15-16H,6-7,9,11H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 149n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 152n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 152n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 171n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 185n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 229n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM309975
PNG
(US9657001, 4)
Show SMILES COCC1(CN(c2ccc(Cl)cc2)c2cnc(C(=O)C3CC3C(O)=O)c(OC)c2)CC1
Show InChI InChI=1S/C23H25ClN2O5/c1-30-13-23(7-8-23)12-26(15-5-3-14(24)4-6-15)16-9-19(31-2)20(25-11-16)21(27)17-10-18(17)22(28)29/h3-6,9,11,17-18H,7-8,10,12-13H2,1-2H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 263n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 277n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 279n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 331n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 356n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 359n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 370n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 424n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 445n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 478n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 588n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 636n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 800n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.67E+3n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.84E+3n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.18E+3n/an/an/an/an/an/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-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%