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PubMed code 3681891

Compile data set for download or QSAR
Found 27 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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 140n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50024851
PNG
(7-Methyl-2-trifluoromethyl-1H-benzoimidazol-4-ol |...)
Show SMILES Cc1ccc(O)c2nc([nH]c12)C(F)(F)F
Show InChI InChI=1S/C9H7F3N2O/c1-4-2-3-5(15)7-6(4)13-8(14-7)9(10,11)12/h2-3,15H,1H3,(H,13,14)
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n/an/a 250n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.18-0.31

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 890n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.72-1.07

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367452
PNG
(CHEMBL1743607)
Show SMILES Cc1ccc(O)c2nc(Cc3ccc(Cl)cc3)[nH]c12
Show InChI InChI=1S/C15H13ClN2O/c1-9-2-7-12(19)15-14(9)17-13(18-15)8-10-3-5-11(16)6-4-10/h2-7,19H,8H2,1H3,(H,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.3-1.6

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50024863
PNG
(2-Benzyl-7-methyl-1H-benzoimidazol-4-ol | CHEMBL67...)
Show SMILES Cc1ccc(O)c2nc(Cc3ccccc3)[nH]c12
Show InChI InChI=1S/C15H14N2O/c1-10-7-8-12(18)15-14(10)16-13(17-15)9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,16,17)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.4-2.2

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367457
PNG
(CHEMBL1202795)
Show SMILES Cc1ccc(O)c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H12N2O/c1-9-7-8-11(17)13-12(9)15-14(16-13)10-5-3-2-4-6-10/h2-8,17H,1H3,(H,15,16)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.0-1.5

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367451
PNG
(CHEMBL1202802)
Show SMILES CN(C)c1ccc(cc1)-c1nc2c(O)ccc(C)c2[nH]1
Show InChI InChI=1S/C16H17N3O/c1-10-4-9-13(20)15-14(10)17-16(18-15)11-5-7-12(8-6-11)19(2)3/h4-9,20H,1-3H3,(H,17,18)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.0-1.7

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50024850
PNG
(2-Benzyl-5-tert-butyl-7-methyl-1H-benzoimidazol-4-...)
Show SMILES Cc1cc(c(O)c2[nH]c(Cc3ccccc3)nc12)C(C)(C)C
Show InChI InChI=1S/C19H22N2O/c1-12-10-14(19(2,3)4)18(22)17-16(12)20-15(21-17)11-13-8-6-5-7-9-13/h5-10,22H,11H2,1-4H3,(H,20,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.1-1.6

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367460
PNG
(CHEMBL1202809)
Show SMILES COc1cccc(Cc2nc3c(O)ccc(C)c3[nH]2)c1
Show InChI InChI=1S/C16H16N2O2/c1-10-6-7-13(19)16-15(10)17-14(18-16)9-11-4-3-5-12(8-11)20-2/h3-8,19H,9H2,1-2H3,(H,17,18)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.0-2.4

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006811
PNG
(2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...)
Show SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O |w:8.8|
Show InChI InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h12,14,22-24H,5,7-10,15H2,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367466
PNG
(CHEMBL1202812)
Show SMILES Cc1ccc(O)c2nc(Cc3cccs3)[nH]c12
Show InChI InChI=1S/C13H12N2OS/c1-8-4-5-10(16)13-12(8)14-11(15-13)7-9-3-2-6-17-9/h2-6,16H,7H2,1H3,(H,14,15)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.9-2.4

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367454
PNG
(CHEMBL1202796)
Show SMILES Cc1ccc(O)c2nc(CCc3ccccc3)[nH]c12
Show InChI InChI=1S/C16H16N2O/c1-11-7-9-13(19)16-15(11)17-14(18-16)10-8-12-5-3-2-4-6-12/h2-7,9,19H,8,10H2,1H3,(H,17,18)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.3-2.8

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50009004
PNG
((phenidone)1-Phenyl-pyrazolidin-3-one | 1-Phenyl-p...)
Show SMILES O=C1CCN(N1)c1ccccc1
Show InChI InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.07-5.54

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367462
PNG
(CHEMBL1202798)
Show SMILES COc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1
Show InChI InChI=1S/C16H16N2O2/c1-10-3-8-13(19)16-15(10)17-14(18-16)9-11-4-6-12(20-2)7-5-11/h3-8,19H,9H2,1-2H3,(H,17,18)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.7-2.6

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367463
PNG
(CHEMBL1202811)
Show SMILES COc1ccc(Cc2nc3c(C)cc(c(O)c3[nH]2)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O2/c1-12-10-15(20(2,3)4)19(23)18-17(12)21-16(22-18)11-13-6-8-14(24-5)9-7-13/h6-10,23H,11H2,1-5H3,(H,21,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.9-4.0

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367456
PNG
(CHEMBL1202797)
Show SMILES COc1ccc(cc1)-c1nc2c(O)ccc(C)c2[nH]1
Show InChI InChI=1S/C15H14N2O2/c1-9-3-8-12(18)14-13(9)16-15(17-14)10-4-6-11(19-2)7-5-10/h3-8,18H,1-2H3,(H,16,17)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.4-3.2

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367455
PNG
(CHEMBL1202805)
Show SMILES Cc1ccc(O)c2nc(Cc3cccc4ccccc34)[nH]c12
Show InChI InChI=1S/C19H16N2O/c1-12-9-10-16(22)19-18(12)20-17(21-19)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,22H,11H2,1H3,(H,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.8-2.8

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50024845
PNG
(7-Methyl-2-(4-methyl-benzyl)-1H-benzoimidazol-4-ol...)
Show SMILES Cc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1
Show InChI InChI=1S/C16H16N2O/c1-10-3-6-12(7-4-10)9-14-17-15-11(2)5-8-13(19)16(15)18-14/h3-8,19H,9H2,1-2H3,(H,17,18)
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n/an/a 2.54E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 2.46-2.63

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367459
PNG
(CHEMBL1202810)
Show SMILES CCOc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1
Show InChI InChI=1S/C17H18N2O2/c1-3-21-13-7-5-12(6-8-13)10-15-18-16-11(2)4-9-14(20)17(16)19-15/h4-9,20H,3,10H2,1-2H3,(H,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 2.3-.8

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367458
PNG
(CHEMBL1202806)
Show SMILES Cc1ccc(O)c2nc([nH]c12)-c1ccco1
Show InChI InChI=1S/C12H10N2O2/c1-7-4-5-8(15)11-10(7)13-12(14-11)9-3-2-6-16-9/h2-6,15H,1H3,(H,13,14)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.8-5.7

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367461
PNG
(CHEMBL1202808)
Show SMILES COc1ccccc1Cc1nc2c(O)ccc(C)c2[nH]1
Show InChI InChI=1S/C16H16N2O2/c1-10-7-8-12(19)16-15(10)17-14(18-16)9-11-5-3-4-6-13(11)20-2/h3-8,19H,9H2,1-2H3,(H,17,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 3.3-3.5

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50024854
PNG
(7-Methyl-2-pyridin-3-ylmethyl-1H-benzoimidazol-4-o...)
Show SMILES Cc1ccc(O)c2nc(Cc3cccnc3)[nH]c12
Show InChI InChI=1S/C14H13N3O/c1-9-4-5-11(18)14-13(9)16-12(17-14)7-10-3-2-6-15-8-10/h2-6,8,18H,7H2,1H3,(H,16,17)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 4.0-6.4

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367465
PNG
(CHEMBL1202800)
Show SMILES COc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1OC
Show InChI InChI=1S/C17H18N2O3/c1-10-4-6-12(20)17-16(10)18-15(19-17)9-11-5-7-13(21-2)14(8-11)22-3/h4-8,20H,9H2,1-3H3,(H,18,19)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 3.8-7.1

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367464
PNG
(CHEMBL1202801)
Show SMILES Cc1ccc(O)c2nc(Cc3ccc(O)cc3)[nH]c12
Show InChI InChI=1S/C15H14N2O2/c1-9-2-7-12(19)15-14(9)16-13(17-15)8-10-3-5-11(18)6-4-10/h2-7,18-19H,8H2,1H3,(H,16,17)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 4.9-11.6

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367453
PNG
(CHEMBL1202799)
Show SMILES COc1cc(Cc2nc3c(O)ccc(C)c3[nH]2)cc(OC)c1OC
Show InChI InChI=1S/C18H20N2O4/c1-10-5-6-12(21)17-16(10)19-15(20-17)9-11-7-13(22-2)18(24-4)14(8-11)23-3/h5-8,21H,9H2,1-4H3,(H,19,20)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 7.5-11.8

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50024858
PNG
(2-(4-Methoxy-benzyl)-1H-benzoimidazol-4-ol | CHEMB...)
Show SMILES COc1ccc(Cc2nc3c(O)cccc3[nH]2)cc1
Show InChI InChI=1S/C15H14N2O2/c1-19-11-7-5-10(6-8-11)9-14-16-12-3-2-4-13(18)15(12)17-14/h2-8,18H,9H2,1H3,(H,16,17)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50024844
PNG
(2-Benzyl-1H-benzoimidazol-4-ol | CHEMBL306680)
Show SMILES Oc1cccc2[nH]c(Cc3ccccc3)nc12
Show InChI InChI=1S/C14H12N2O/c17-12-8-4-7-11-14(12)16-13(15-11)9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,16)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase

J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%