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PubMed code 8831759

Compile data set for download or QSAR
Found 16 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)
BDBM50053432
PNG
(2-(4-Methylsulfanyl-phenyl)-3-pyridin-4-yl-6,7-dih...)
Show SMILES CSc1ccc(cc1)-c1nc2CCCn2c1-c1ccncc1
Show InChI InChI=1S/C18H17N3S/c1-22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-3-16(21)20-17/h4-11H,2-3,12H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Arachidonate 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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n/an/a 3.20E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM14832
PNG
(3-(4-fluorophenyl)-2-pyridin-4-yl-6-thia-1,4-diaza...)
Show SMILES Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1
Show InChI InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM14832
PNG
(3-(4-fluorophenyl)-2-pyridin-4-yl-6-thia-1,4-diaza...)
Show SMILES Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1
Show InChI InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50053430
PNG
(4-[3-Cyclopropyl-5-(4-fluoro-phenyl)-3H-imidazol-4...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccncc1
Show InChI InChI=1S/C17H14FN3/c18-14-3-1-12(2-4-14)16-17(13-7-9-19-10-8-13)21(11-20-16)15-5-6-15/h1-4,7-11,15H,5-6H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM15237
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
Show InChI InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
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n/an/a 5.10E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50053430
PNG
(4-[3-Cyclopropyl-5-(4-fluoro-phenyl)-3H-imidazol-4...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccncc1
Show InChI InChI=1S/C17H14FN3/c18-14-3-1-12(2-4-14)16-17(13-7-9-19-10-8-13)21(11-20-16)15-5-6-15/h1-4,7-11,15H,5-6H2
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n/an/a 6.00E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50053424
PNG
(4-{3-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-imidazol-...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
Show InChI InChI=1S/C21H23FN4O/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25/h2-9,16H,1,10-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50053412
PNG
(4-{3-[4-(3,4-Dichloro-phenyl)-5-pyridin-4-yl-imida...)
Show SMILES Clc1ccc(cc1Cl)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
Show InChI InChI=1S/C21H22Cl2N4O/c22-18-3-2-17(14-19(18)23)20-21(16-4-6-24-7-5-16)27(15-25-20)9-1-8-26-10-12-28-13-11-26/h2-7,14-15H,1,8-13H2
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50053412
PNG
(4-{3-[4-(3,4-Dichloro-phenyl)-5-pyridin-4-yl-imida...)
Show SMILES Clc1ccc(cc1Cl)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
Show InChI InChI=1S/C21H22Cl2N4O/c22-18-3-2-17(14-19(18)23)20-21(16-4-6-24-7-5-16)27(15-25-20)9-1-8-26-10-12-28-13-11-26/h2-7,14-15H,1,8-13H2
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50053424
PNG
(4-{3-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-imidazol-...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
Show InChI InChI=1S/C21H23FN4O/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25/h2-9,16H,1,10-15H2
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50053410
PNG
(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazole |...)
Show SMILES Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
Show InChI InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-14(18-9-17-13)11-5-7-16-8-6-11/h1-9H,(H,17,18)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM15237
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
Show InChI InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50053432
PNG
(2-(4-Methylsulfanyl-phenyl)-3-pyridin-4-yl-6,7-dih...)
Show SMILES CSc1ccc(cc1)-c1nc2CCCn2c1-c1ccncc1
Show InChI InChI=1S/C18H17N3S/c1-22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-3-16(21)20-17/h4-11H,2-3,12H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50053410
PNG
(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazole |...)
Show SMILES Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
Show InChI InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-14(18-9-17-13)11-5-7-16-8-6-11/h1-9H,(H,17,18)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%