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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50005510   
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)
BDBM50037795
PNG
(CHEMBL120885 | Furan-2-carboxylic acid hydroxy-[1-...)
Show SMILES CC(N(O)C(=O)c1ccco1)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c1-14(22(24)21(23)19-8-5-11-25-19)16-9-10-18-17(12-16)13-20(26-18)15-6-3-2-4-7-15/h2-14,24H,1H3
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n/an/a 40n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037791
PNG
(4-(Hydroxy-{1-[2-(3,4,5-trimethoxy-phenyl)-benzofu...)
Show SMILES COC(=O)CCCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H29NO8/c1-15(26(29)23(27)7-6-8-24(28)32-4)16-9-10-19-17(11-16)12-20(34-19)18-13-21(30-2)25(33-5)22(14-18)31-3/h9-15,29H,6-8H2,1-5H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037807
PNG
(CHEMBL331626 | N-[1-(2-Butyl-benzofuran-5-yl)-ethy...)
Show SMILES CCCCc1cc2cc(ccc2o1)C(C)N(O)C(C)=O
Show InChI InChI=1S/C16H21NO3/c1-4-5-6-15-10-14-9-13(7-8-16(14)20-15)11(2)17(19)12(3)18/h7-11,19H,4-6H2,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037805
PNG
(CHEMBL121025 | N-hydroxy-N-[1-[2-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2cc(ccc2o1)C(C)N(O)C(N)=O
Show InChI InChI=1S/C20H22N2O6/c1-11(22(24)20(21)23)12-5-6-15-13(7-12)8-16(28-15)14-9-17(25-2)19(27-4)18(10-14)26-3/h5-11,24H,1-4H3,(H2,21,23)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037803
PNG
(4-{[1-(2-Butyl-benzofuran-5-yl)-ethyl]-hydroxy-car...)
Show SMILES CCCCc1cc2cc(ccc2o1)C(C)N(O)C(=O)CCCC(=O)OC
Show InChI InChI=1S/C20H27NO5/c1-4-5-7-17-13-16-12-15(10-11-18(16)26-17)14(2)21(24)19(22)8-6-9-20(23)25-3/h10-14,24H,4-9H2,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037792
PNG
(CHEMBL122955 | N-Hydroxy-N-[1-(2-phenyl-benzofuran...)
Show SMILES CCOC(=O)CCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-3-27-22(25)12-11-21(24)23(26)15(2)17-9-10-19-18(13-17)14-20(28-19)16-7-5-4-6-8-16/h4-10,13-15,26H,3,11-12H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037793
PNG
(4-{Hydroxy-[1-(2-phenyl-benzofuran-5-yl)-ethyl]-ca...)
Show SMILES COC(=O)CCCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15(23(26)21(24)9-6-10-22(25)27-2)17-11-12-19-18(13-17)14-20(28-19)16-7-4-3-5-8-16/h3-5,7-8,11-15,26H,6,9-10H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037788
PNG
(CHEMBL421255 | N-Hydroxy-N-{1-[2-(6-methoxy-naphth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc2cc(ccc2o1)C(C)N(O)C(C)=O
Show InChI InChI=1S/C23H21NO4/c1-14(24(26)15(2)25)16-7-9-22-20(10-16)13-23(28-22)19-5-4-18-12-21(27-3)8-6-17(18)11-19/h4-14,26H,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037801
PNG
(4-{[1-(2-Decyl-benzofuran-5-yl)-ethyl]-hydroxy-car...)
Show SMILES CCCCCCCCCCc1cc2cc(ccc2o1)C(C)N(O)C(=O)CCCC(=O)OC
Show InChI InChI=1S/C26H39NO5/c1-4-5-6-7-8-9-10-11-13-23-19-22-18-21(16-17-24(22)32-23)20(2)27(30)25(28)14-12-15-26(29)31-3/h16-20,30H,4-15H2,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037796
PNG
(Acetic acid {hydroxy-[1-(2-phenyl-benzofuran-5-yl)...)
Show SMILES CC(N(O)C(=O)COC(C)=O)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C20H19NO5/c1-13(21(24)20(23)12-25-14(2)22)16-8-9-18-17(10-16)11-19(26-18)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037789
PNG
(CHEMBL332395 | N-Hydroxy-2-methoxy-N-[1-(2-phenyl-...)
Show SMILES COCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C19H19NO4/c1-13(20(22)19(21)12-23-2)15-8-9-17-16(10-15)11-18(24-17)14-6-4-3-5-7-14/h3-11,13,22H,12H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037797
PNG
(CHEMBL123396 | N-Hydroxy-3,4-dimethoxy-N-[1-(2-phe...)
Show SMILES COc1ccc(cc1OC)C(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C25H23NO5/c1-16(26(28)25(27)19-10-12-22(29-2)24(14-19)30-3)18-9-11-21-20(13-18)15-23(31-21)17-7-5-4-6-8-17/h4-16,28H,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037806
PNG
(CHEMBL123177 | Thiophene-2-carboxylic acid hydroxy...)
Show SMILES CC(N(O)C(=O)c1cccs1)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C21H17NO3S/c1-14(22(24)21(23)20-8-5-11-26-20)16-9-10-18-17(12-16)13-19(25-18)15-6-3-2-4-7-15/h2-14,24H,1H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037794
PNG
(CHEMBL331060 | N-Hydroxy-N-{1-[2-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2cc(ccc2o1)C(C)N(O)C(C)=O
Show InChI InChI=1S/C21H23NO6/c1-12(22(24)13(2)23)14-6-7-17-15(8-14)9-18(28-17)16-10-19(25-3)21(27-5)20(11-16)26-4/h6-12,24H,1-5H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022683
PNG
(CHEMBL418304 | N-[1-(4-Benzyloxy-phenyl)-ethyl]-N-...)
Show SMILES CC(N(O)C(C)=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H19NO3/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037799
PNG
(CHEMBL123649 | N-Hydroxy-N-[1-(4-phenethyloxy-phen...)
Show SMILES CC(N(O)C(C)=O)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C18H21NO3/c1-14(19(21)15(2)20)17-8-10-18(11-9-17)22-13-12-16-6-4-3-5-7-16/h3-11,14,21H,12-13H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037790
PNG
(CHEMBL331881 | N-[1-(2-Decyl-benzofuran-5-yl)-ethy...)
Show SMILES CCCCCCCCCCc1cc2cc(ccc2o1)C(C)N(O)C(C)=O
Show InChI InChI=1S/C22H33NO3/c1-4-5-6-7-8-9-10-11-12-21-16-20-15-19(13-14-22(20)26-21)17(2)23(25)18(3)24/h13-17,25H,4-12H2,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037798
PNG
(CHEMBL121390 | N-hydroxy-N-[1-(2-phinyl-5-benzofur...)
Show SMILES CC(N(O)C(N)=O)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O3/c1-11(19(21)17(18)20)13-7-8-15-14(9-13)10-16(22-15)12-5-3-2-4-6-12/h2-11,21H,1H3,(H2,18,20)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037787
PNG
(CHEMBL332814 | N-Hydroxy-N-[1-(2-phenyl-benzofuran...)
Show SMILES CC(N(O)C(C)=O)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-12(19(21)13(2)20)15-8-9-17-16(10-15)11-18(22-17)14-6-4-3-5-7-14/h3-12,21H,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022697
PNG
(CHEMBL62114 | N-Hydroxy-N-{1-[4-(1-phenyl-ethoxy)-...)
Show SMILES CC(Oc1ccc(cc1)C(C)N(O)C(C)=O)c1ccccc1
Show InChI InChI=1S/C18H21NO3/c1-13(19(21)15(3)20)16-9-11-18(12-10-16)22-14(2)17-7-5-4-6-8-17/h4-14,21H,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037804
PNG
(2,N-Dihydroxy-N-[1-(2-phenyl-benzofuran-5-yl)-ethy...)
Show SMILES CC(N(O)C(=O)CO)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-12(19(22)18(21)11-20)14-7-8-16-15(9-14)10-17(23-16)13-5-3-2-4-6-13/h2-10,12,20,22H,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037802
PNG
(CHEMBL120107 | N-Hydroxy-2,6-dimethoxy-N-[1-(2-phe...)
Show SMILES COc1cccc(OC)c1C(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C25H23NO5/c1-16(26(28)25(27)24-21(29-2)10-7-11-22(24)30-3)18-12-13-20-19(14-18)15-23(31-20)17-8-5-4-6-9-17/h4-16,28H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037800
PNG
(CHEMBL121555 | N-Hydroxy-N-[1-(2-phenyl-benzofuran...)
Show SMILES CC(N(O)C(=O)c1ccccc1)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C23H19NO3/c1-16(24(26)23(25)18-10-6-3-7-11-18)19-12-13-21-20(14-19)15-22(27-21)17-8-4-2-5-9-17/h2-16,26H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.83E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair