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PubMed code 1433181

Compile data set for download or QSAR
Found 19 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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003110
PNG
(CHEMBL543891 | N-[3-(3,5-Di-tert-butyl-4-hydroxy-p...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(N=C(N)N)n1
Show InChI InChI=1S/C17H25N5OS/c1-16(2,3)10-7-9(8-11(12(10)23)17(4,5)6)13-20-15(24-22-13)21-14(18)19/h7-8,23H,1-6H3,(H4,18,19,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003126
PNG
(4-(5-Amino-[1,2,4]thiadiazol-3-yl)-2,6-di-tert-but...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(N)n1
Show InChI InChI=1S/C16H23N3OS/c1-15(2,3)10-7-9(13-18-14(17)21-19-13)8-11(12(10)20)16(4,5)6/h7-8,20H,1-6H3,(H2,17,18,19)
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n/an/a 330n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003125
PNG
(CHEMBL542464 | N-[3-(3,5-Di-tert-butyl-4-hydroxy-p...)
Show SMILES CNC(N)=Nc1nc(ns1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C18H27N5OS/c1-17(2,3)11-8-10(9-12(13(11)24)18(4,5)6)14-21-16(25-23-14)22-15(19)20-7/h8-9,24H,1-7H3,(H3,19,20,21,22,23)
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n/an/a 370n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003124
PNG
(2,6-Di-tert-butyl-4-(3-chloromethyl-[1,2,4]oxadiaz...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(CCl)no1
Show InChI InChI=1S/C17H23ClN2O2/c1-16(2,3)11-7-10(15-19-13(9-18)20-22-15)8-12(14(11)21)17(4,5)6/h7-8,21H,9H2,1-6H3
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n/an/a 780n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003123
PNG
(1-[3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]t...)
Show SMILES CSC(N)=Nc1nc(ns1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C18H26N4OS2/c1-17(2,3)11-8-10(9-12(13(11)23)18(4,5)6)14-20-16(25-22-14)21-15(19)24-7/h8-9,23H,1-7H3,(H2,19,20,21,22)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003112
PNG
(CHEMBL123210 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-p...)
Show SMILES CCO\C=N\c1noc(n1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H27N3O3/c1-8-24-11-20-17-21-16(25-22-17)12-9-13(18(2,3)4)15(23)14(10-12)19(5,6)7/h9-11,23H,8H2,1-7H3/b20-11+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003116
PNG
(CHEMBL331793 | N-[3-(3,5-Di-tert-butyl-4-hydroxy-p...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1noc(N=C(N)N)n1
Show InChI InChI=1S/C17H25N5O2/c1-16(2,3)10-7-9(8-11(12(10)23)17(4,5)6)13-20-15(24-22-13)21-14(18)19/h7-8,23H,1-6H3,(H4,18,19,20,21,22)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50075539
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]thia...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(NC#N)n1
Show InChI InChI=1S/C17H22N4OS/c1-16(2,3)11-7-10(8-12(13(11)22)17(4,5)6)14-20-15(19-9-18)23-21-14/h7-8,22H,1-6H3,(H,19,20,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003111
PNG
(2,6-Di-tert-butyl-4-(5-methyl-[1,2,4]oxadiazol-3-y...)
Show SMILES Cc1nc(no1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2/c1-10-18-15(19-21-10)11-8-12(16(2,3)4)14(20)13(9-11)17(5,6)7/h8-9,20H,1-7H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003119
PNG
(4-(5-Amino-[1,2,4]oxadiazol-3-yl)-2,6-di-tert-buty...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1noc(N)n1
Show InChI InChI=1S/C16H23N3O2/c1-15(2,3)10-7-9(13-18-14(17)21-19-13)8-11(12(10)20)16(4,5)6/h7-8,20H,1-6H3,(H2,17,18,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003121
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-dihydro-fur...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1CCOC1=O
Show InChI InChI=1S/C18H26O3/c1-17(2,3)13-9-11(12-7-8-21-16(12)20)10-14(15(13)19)18(4,5)6/h9-10,12,19H,7-8H2,1-6H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003122
PNG
(4-(5-Aminomethyl-[1,2,4]thiadiazol-3-yl)-2,6-di-te...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(CN)n1
Show InChI InChI=1S/C17H25N3OS/c1-16(2,3)11-7-10(15-19-13(9-18)22-20-15)8-12(14(11)21)17(4,5)6/h7-8,21H,9,18H2,1-6H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003127
PNG
(CHEMBL122193 | CHEMBL1626562 | CHEMBL16659 | choli...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(S)s1
Show InChI InChI=1S/C16H22N2OS2/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003114
PNG
(2,6-Di-tert-butyl-4-(3-methyl-[1,2,4]oxadiazol-5-y...)
Show SMILES Cc1noc(n1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2/c1-10-18-15(21-19-10)11-8-12(16(2,3)4)14(20)13(9-11)17(5,6)7/h8-9,20H,1-7H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003117
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-4H-[1,2,4]o...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(=S)o[nH]1
Show InChI InChI=1S/C16H22N2O2S/c1-15(2,3)10-7-9(13-17-14(21)20-18-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,17,18,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003113
PNG
(4-(3-Amino-[1,2,4]oxadiazol-5-yl)-2,6-di-tert-buty...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(N)no1
Show InChI InChI=1S/C16H23N3O2/c1-15(2,3)10-7-9(13-18-14(17)19-21-13)8-11(12(10)20)16(4,5)6/h7-8,20H,1-6H3,(H2,17,19)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003109
PNG
(2,6-Di-tert-butyl-4-(3-dimethylaminomethyl-[1,2,4]...)
Show SMILES CN(C)Cc1noc(n1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H29N3O2/c1-18(2,3)13-9-12(10-14(16(13)23)19(4,5)6)17-20-15(21-24-17)11-22(7)8/h9-10,23H,11H2,1-8H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003118
PNG
(2,6-Di-tert-butyl-4-(5-dimethylaminomethyl-[1,2,4]...)
Show SMILES CN(C)Cc1nc(no1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H29N3O2/c1-18(2,3)13-9-12(10-14(16(13)23)19(4,5)6)17-20-15(24-21-17)11-22(7)8/h9-10,23H,11H2,1-8H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50012896
PNG
(CHEMBL876 | CL-583.NA SALT | MECLOFENAMATE SODIUM ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


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