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PubMed code 9871729

Compile data set for download or QSAR
Found 7 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


(Homo sapiens (Human))		BDBM50250926
PNG
(1-ethyl-6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyr...)
Show SMILES CCn1c2ccc(COc3cc(F)cc(c3)C3(CCOCC3)OC)cc2ccc1=O
Show InChI InChI=1S/C24H26FNO4/c1-3-26-22-6-4-17(12-18(22)5-7-23(26)27)16-30-21-14-19(13-20(25)15-21)24(28-2)8-10-29-11-9-24/h4-7,12-15H,3,8-11,16H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration required against 5-lipoxygenase activity in intact cells of human neutrophils

Bioorg Med Chem Lett 8: 1169-74 (1999)


BindingDB Entry DOI: 10.7270/Q20865S1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50250926
PNG
(1-ethyl-6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyr...)
Show SMILES CCn1c2ccc(COc3cc(F)cc(c3)C3(CCOCC3)OC)cc2ccc1=O
Show InChI InChI=1S/C24H26FNO4/c1-3-26-22-6-4-17(12-18(22)5-7-23(26)27)16-30-21-14-19(13-20(25)15-21)24(28-2)8-10-29-11-9-24/h4-7,12-15H,3,8-11,16H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration required against 5-lipoxygenase activity in cytosolic fractions of human neutrophils

Bioorg Med Chem Lett 8: 1169-74 (1999)


BindingDB Entry DOI: 10.7270/Q20865S1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration required against COX-2 activity in intact human monocytes

Bioorg Med Chem Lett 8: 1169-74 (1999)


BindingDB Entry DOI: 10.7270/Q20865S1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50070261
PNG
((E)-3-(2-Chloro-quinolin-3-yl)-1-(2,4-dimethyl-fur...)
Show SMILES Cc1coc(C)c1C(=O)C=Cc1cc2ccccc2nc1Cl |w:10.11|
Show InChI InChI=1S/C18H14ClNO2/c1-11-10-22-12(2)17(11)16(21)8-7-14-9-13-5-3-4-6-15(13)20-18(14)19/h3-10H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration required against 5-lipoxygenase activity in cytosolic fractions of human neutrophils

Bioorg Med Chem Lett 8: 1169-74 (1999)


BindingDB Entry DOI: 10.7270/Q20865S1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50070263
PNG
((E)-3-(2-Chloro-quinolin-3-yl)-1-(4-fluoro-phenyl)...)
Show SMILES Fc1ccc(cc1)C(=O)\C=C\c1cc2ccccc2nc1Cl
Show InChI InChI=1S/C18H11ClFNO/c19-18-14(11-13-3-1-2-4-16(13)21-18)7-10-17(22)12-5-8-15(20)9-6-12/h1-11H/b10-7+
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration required against 5-lipoxygenase activity in cytosolic fractions of human neutrophils

Bioorg Med Chem Lett 8: 1169-74 (1999)


BindingDB Entry DOI: 10.7270/Q20865S1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50070260
PNG
((E)-1-(3,4-Dichloro-phenyl)-3-furan-2-yl-propenone...)
Show SMILES Clc1ccc(cc1Cl)C(=O)\C=C\c1ccco1
Show InChI InChI=1S/C13H8Cl2O2/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-8H/b6-4+
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration required against 5-lipoxygenase activity in cytosolic fractions of human neutrophils

Bioorg Med Chem Lett 8: 1169-74 (1999)


BindingDB Entry DOI: 10.7270/Q20865S1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50070259
PNG
((E)-1-(4-Bromo-phenyl)-3-(2,3-dimethoxy-phenyl)-pr...)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Br)cc2)c1OC
Show InChI InChI=1S/C17H15BrO3/c1-20-16-5-3-4-13(17(16)21-2)8-11-15(19)12-6-9-14(18)10-7-12/h3-11H,1-2H3/b11-8+
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n/an/a 6.10E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration required against 5-lipoxygenase activity in cytosolic fractions of human neutrophils

Bioorg Med Chem Lett 8: 1169-74 (1999)


BindingDB Entry DOI: 10.7270/Q20865S1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%