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Articleid 50028944

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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50280281
PNG
(CHEMBL42593 | N-{[1-(4-chlorobenzoyl)-5-methoxy-2-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CN(O)C(N)=O)c2c1
Show InChI InChI=1S/C19H18ClN3O4/c1-11-16(10-22(26)19(21)25)15-9-14(27-2)7-8-17(15)23(11)18(24)12-3-5-13(20)6-4-12/h3-9,26H,10H2,1-2H3,(H2,21,25)
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n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophillic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50280280
PNG
(CHEMBL295243 | N-{[1-(4-chlorobenzoyl)-5-methoxy-2...)
Show SMILES CNC(=S)N(O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C20H20ClN3O3S/c1-12-17(11-23(26)20(28)22-2)16-10-15(27-3)8-9-18(16)24(12)19(25)13-4-6-14(21)7-5-13/h4-10,26H,11H2,1-3H3,(H,22,28)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophillic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50280282
PNG
(CHEMBL295008 | N-{[1-(4-chlorobenzoyl)-5-methoxy-2...)
Show SMILES CNC(=S)N(O)C(C)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C21H22ClN3O3S/c1-12-19(13(2)25(27)21(29)23-3)17-11-16(28-4)9-10-18(17)24(12)20(26)14-5-7-15(22)8-6-14/h5-11,13,27H,1-4H3,(H,23,29)
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n/an/a 570n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophillic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50280284
PNG
(CHEMBL296543 | N-{1-[1-(4-Chloro-benzoyl)-5-methox...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C(C)N(O)C(C)=O)c2c1
Show InChI InChI=1S/C21H21ClN2O4/c1-12-20(13(2)24(27)14(3)25)18-11-17(28-4)9-10-19(18)23(12)21(26)15-5-7-16(22)8-6-15/h5-11,13,27H,1-4H3
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n/an/a 830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophillic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50280279
PNG
(CHEMBL410500 | N-{1-[1-(4-chlorobenzoyl)-5-methoxy...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C(C)N(O)C(N)=O)c2c1
Show InChI InChI=1S/C20H20ClN3O4/c1-11-18(12(2)24(27)20(22)26)16-10-15(28-3)8-9-17(16)23(11)19(25)13-4-6-14(21)7-5-13/h4-10,12,27H,1-3H3,(H2,22,26)
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n/an/a 890n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50012893
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NO)c2c1
Show InChI InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50280283
PNG
(CHEMBL46871 | N-[1-(4-Chloro-benzoyl)-5-methoxy-2-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CN(O)C(C)=O)c2c1
Show InChI InChI=1S/C20H19ClN2O4/c1-12-18(11-22(26)13(2)24)17-10-16(27-3)8-9-19(17)23(12)20(25)14-4-6-15(21)7-5-14/h4-10,26H,11H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophillic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50280279
PNG
(CHEMBL410500 | N-{1-[1-(4-chlorobenzoyl)-5-methoxy...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C(C)N(O)C(N)=O)c2c1
Show InChI InChI=1S/C20H20ClN3O4/c1-11-18(12(2)24(27)20(22)26)16-10-15(28-3)8-9-17(16)23(11)19(25)13-4-6-14(21)7-5-13/h4-10,12,27H,1-3H3,(H2,22,26)
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TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophillic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50280284
PNG
(CHEMBL296543 | N-{1-[1-(4-Chloro-benzoyl)-5-methox...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C(C)N(O)C(C)=O)c2c1
Show InChI InChI=1S/C21H21ClN2O4/c1-12-20(13(2)24(27)14(3)25)18-11-17(28-4)9-10-19(18)23(12)21(26)15-5-7-16(22)8-6-15/h5-11,13,27H,1-4H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50280282
PNG
(CHEMBL295008 | N-{[1-(4-chlorobenzoyl)-5-methoxy-2...)
Show SMILES CNC(=S)N(O)C(C)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C21H22ClN3O3S/c1-12-19(13(2)25(27)21(29)23-3)17-11-16(28-4)9-10-18(17)24(12)20(26)14-5-7-15(22)8-6-14/h5-11,13,27H,1-4H3,(H,23,29)
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50280280
PNG
(CHEMBL295243 | N-{[1-(4-chlorobenzoyl)-5-methoxy-2...)
Show SMILES CNC(=S)N(O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C20H20ClN3O3S/c1-12-17(11-23(26)20(28)22-2)16-10-15(27-3)8-9-18(16)24(12)19(25)13-4-6-14(21)7-5-13/h4-10,26H,11H2,1-3H3,(H,22,28)
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n/an/a 7.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50012893
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NO)c2c1
Show InChI InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)
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n/an/a 7.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophillic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50280283
PNG
(CHEMBL46871 | N-[1-(4-Chloro-benzoyl)-5-methoxy-2-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CN(O)C(C)=O)c2c1
Show InChI InChI=1S/C20H19ClN2O4/c1-12-18(11-22(26)13(2)24)17-10-16(27-3)8-9-19(17)23(12)20(25)14-4-6-15(21)7-5-14/h4-10,26H,11H2,1-3H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50280281
PNG
(CHEMBL42593 | N-{[1-(4-chlorobenzoyl)-5-methoxy-2-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CN(O)C(N)=O)c2c1
Show InChI InChI=1S/C19H18ClN3O4/c1-11-16(10-22(26)19(21)25)15-9-14(27-2)7-8-17(15)23(11)18(24)12-3-5-13(20)6-4-12/h3-9,26H,10H2,1-2H3,(H2,21,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophillic leukemia cells(RBL-1)

Bioorg Med Chem Lett 2: 1655-1660 (1992)


Article DOI: 10.1016/S0960-894X(00)80450-3
BindingDB Entry DOI: 10.7270/Q2TD9X9T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%