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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'hamel' and Initial = 'sc'   
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
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290345
PNG
(7-(3,4-Difluoro-benzyl)-1-(4-fluoro-phenyl)-4,5,6,...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccc(F)c(F)c3)c12
Show InChI InChI=1S/C21H17F3N2O/c22-15-5-7-16(8-6-15)26-21-14(2-1-3-17(21)20(12-27)25-26)10-13-4-9-18(23)19(24)11-13/h4-9,11-12,14H,1-3,10H2
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290353
PNG
(CHEMBL422241 | [1-[1-(4-Fluoro-phenyl)-7-naphthale...)
Show SMILES Fc1ccc(cc1)-n1nc(\C=N\c2ccccc2)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C31H26FN3/c32-25-16-18-27(19-17-25)35-31-24(20-23-10-6-9-22-8-4-5-14-28(22)23)11-7-15-29(31)30(34-35)21-33-26-12-2-1-3-13-26/h1-6,8-10,12-14,16-19,21,24H,7,11,15,20H2/b33-21+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290364
PNG
(7-Benzyl-1-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-1H...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccccc3)c12
Show InChI InChI=1S/C21H19FN2O/c22-17-9-11-18(12-10-17)24-21-16(13-15-5-2-1-3-6-15)7-4-8-19(21)20(14-25)23-24/h1-3,5-6,9-12,14,16H,4,7-8,13H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290359
PNG
(1-(4-Fluoro-phenyl)-7-naphthalen-1-ylmethyl-4,5,6,...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C25H21FN2O/c26-20-11-13-21(14-12-20)28-25-19(8-4-10-23(25)24(16-29)27-28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,16,19H,4,8,10,15H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290336
PNG
(Acetic acid acetoxy-[1-(4-fluoro-phenyl)-7-naphtha...)
Show SMILES CC(=O)OC(OC(C)=O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H27FN2O4/c1-18(33)35-29(36-19(2)34)27-26-12-6-10-22(17-21-9-5-8-20-7-3-4-11-25(20)21)28(26)32(31-27)24-15-13-23(30)14-16-24/h3-5,7-9,11,13-16,22,29H,6,10,12,17H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290361
PNG
(7-Naphthalen-1-ylmethyl-1-phenyl-4,5,6,7-tetrahydr...)
Show SMILES O=Cc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccccc1
Show InChI InChI=1S/C25H22N2O/c28-17-24-23-15-7-11-20(25(23)27(26-24)21-12-2-1-3-13-21)16-19-10-6-9-18-8-4-5-14-22(18)19/h1-6,8-10,12-14,17,20H,7,11,15-16H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290333
PNG
(7-(4-Fluoro-benzyl)-1-(4-fluoro-phenyl)-4,5,6,7-te...)
Show SMILES Fc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H18F2N2O/c22-16-6-4-14(5-7-16)12-15-2-1-3-19-20(13-26)24-25(21(15)19)18-10-8-17(23)9-11-18/h4-11,13,15H,1-3,12H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290356
PNG
(1-(4-Fluoro-phenyl)-7-(4-methyl-benzyl)-4,5,6,7-te...)
Show SMILES Cc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H21FN2O/c1-15-5-7-16(8-6-15)13-17-3-2-4-20-21(14-26)24-25(22(17)20)19-11-9-18(23)10-12-19/h5-12,14,17H,2-4,13H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290334
PNG
(1-(4-Chloro-phenyl)-7-naphthalen-1-ylmethyl-4,5,6,...)
Show SMILES Clc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C25H21ClN2O/c26-20-11-13-21(14-12-20)28-25-19(8-4-10-23(25)24(16-29)27-28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,16,19H,4,8,10,15H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076649
PNG
(CHEMBL369848 | N-{1-methyl-3-[1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O
Show InChI InChI=1S/C21H19ClN4O3/c1-14(26(28)21(23)27)3-8-17-13-20(15-4-6-16(22)7-5-15)25(24-17)18-9-11-19(29-2)12-10-18/h4-7,9-14,28H,1-2H3,(H2,23,27)
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase(5-LO) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076666
PNG
(CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076661
PNG
(CHEMBL177727 | N-{1-Ethyl-3-[1-(4-methoxy-phenyl)-...)
Show SMILES CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-21(27(29)18(3)28)11-10-20-16-24(19-8-6-17(2)7-9-19)26(25-20)22-12-14-23(30-4)15-13-22/h6-9,12-16,21,29H,5H2,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290362
PNG
(7-(2-Chloro-benzyl)-1-(4-fluoro-phenyl)-4,5,6,7-te...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccccc3Cl)c12
Show InChI InChI=1S/C21H18ClFN2O/c22-19-7-2-1-4-14(19)12-15-5-3-6-18-20(13-26)24-25(21(15)18)17-10-8-16(23)9-11-17/h1-2,4,7-11,13,15H,3,5-6,12H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290358
PNG
(7-(4-Chloro-benzyl)-1-(4-fluoro-phenyl)-4,5,6,7-te...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H18ClFN2O/c22-16-6-4-14(5-7-16)12-15-2-1-3-19-20(13-26)24-25(21(15)19)18-10-8-17(23)9-11-18/h4-11,13,15H,1-3,12H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290349
PNG
(1-(4-Methoxy-phenyl)-7-naphthalen-1-ylmethyl-4,5,6...)
Show SMILES COc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C26H24N2O2/c1-30-22-14-12-21(13-15-22)28-26-20(9-5-11-24(26)25(17-29)27-28)16-19-8-4-7-18-6-2-3-10-23(18)19/h2-4,6-8,10,12-15,17,20H,5,9,11,16H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290338
PNG
(1-(4-Fluoro-phenyl)-7-(3-methoxy-benzyl)-octahydro...)
Show SMILES COc1cccc(CC2CCCC3C(NN(C23)c2ccc(F)cc2)C=O)c1
Show InChI InChI=1S/C22H25FN2O2/c1-27-19-6-2-4-15(13-19)12-16-5-3-7-20-21(14-26)24-25(22(16)20)18-10-8-17(23)9-11-18/h2,4,6,8-11,13-14,16,20-22,24H,3,5,7,12H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076637
PNG
(CHEMBL369252 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(C)=O
Show InChI InChI=1S/C22H21N3O3/c1-16-6-8-18(9-7-16)22-15-19(5-4-14-24(27)17(2)26)23-25(22)20-10-12-21(28-3)13-11-20/h6-13,15,27H,14H2,1-3H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076650
PNG
(CHEMBL368682 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(C)C
Show InChI InChI=1S/C25H27N3O3/c1-17(2)25(29)28(30)19(4)8-11-21-16-24(20-9-6-18(3)7-10-20)27(26-21)22-12-14-23(31-5)15-13-22/h6-7,9-10,12-17,19,30H,1-5H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290354
PNG
(1-(4-Fluoro-phenyl)-7-naphthalen-1-ylmethyl-4,5,6,...)
Show SMILES Fc1ccc(cc1)-n1nc(C#N)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C25H20FN3/c26-20-11-13-21(14-12-20)29-25-19(8-4-10-23(25)24(16-27)28-29)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,19H,4,8,10,15H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290375
PNG
(CHEMBL314154 | N-[1-[1-(4-Fluoro-phenyl)-7-naphtha...)
Show SMILES CN=NCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1 |w:1.0|
Show InChI InChI=1S/C26H25FN4/c1-28-29-17-25-24-11-5-9-20(16-19-8-4-7-18-6-2-3-10-23(18)19)26(24)31(30-25)22-14-12-21(27)13-15-22/h2-4,6-8,10,12-15,20H,5,9,11,16-17H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076642
PNG
(2,2,2-Trifluoro-N-hydroxy-N-{3-[1-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O3/c1-15-4-7-17(8-5-15)21-14-18(9-6-16(2)29(31)22(30)23(24,25)26)27-28(21)19-10-12-20(32-3)13-11-19/h4-5,7-8,10-14,16,31H,1-3H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290360
PNG
(CHEMBL315787 | [1-(4-Fluoro-phenyl)-7-naphthalen-1...)
Show SMILES OCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H23FN2O/c26-20-11-13-21(14-12-20)28-25-19(8-4-10-23(25)24(16-29)27-28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,19,29H,4,8,10,15-16H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290372
PNG
(1-(4-Fluoro-phenyl)-7-naphthalen-2-ylmethyl-octahy...)
Show SMILES Fc1ccc(cc1)N1NC(C=O)C2CCCC(Cc3ccc4ccccc4c3)C12
Show InChI InChI=1S/C25H25FN2O/c26-21-10-12-22(13-11-21)28-25-20(6-3-7-23(25)24(16-29)27-28)15-17-8-9-18-4-1-2-5-19(18)14-17/h1-2,4-5,8-14,16,20,23-25,27H,3,6-7,15H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076639
PNG
(CHEMBL367010 | N-{3-[5-(4-Ethyl-phenyl)-1-(4-metho...)
Show SMILES CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-19-7-9-20(10-8-19)24-16-21(11-6-17(2)27(29)18(3)28)25-26(24)22-12-14-23(30-4)15-13-22/h7-10,12-17,29H,5H2,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076640
PNG
(CHEMBL173133 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES CCC(=O)N(O)CC#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H23N3O3/c1-4-23(27)25(28)15-5-6-19-16-22(18-9-7-17(2)8-10-18)26(24-19)20-11-13-21(29-3)14-12-20/h7-14,16,28H,4,15H2,1-3H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290368
PNG
(1-(3-Chloro-phenyl)-7-naphthalen-1-ylmethyl-4,5,6,...)
Show SMILES Clc1cccc(c1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C25H21ClN2O/c26-20-10-5-11-21(15-20)28-25-19(9-4-13-23(25)24(16-29)27-28)14-18-8-3-7-17-6-1-2-12-22(17)18/h1-3,5-8,10-12,15-16,19H,4,9,13-14H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076661
PNG
(CHEMBL177727 | N-{1-Ethyl-3-[1-(4-methoxy-phenyl)-...)
Show SMILES CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-21(27(29)18(3)28)11-10-20-16-24(19-8-6-17(2)7-9-19)26(25-20)22-12-14-23(30-4)15-13-22/h6-9,12-16,21,29H,5H2,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076657
PNG
(CHEMBL368546 | N-hydroxy-N-{3-[1-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(N)=O
Show InChI InChI=1S/C21H20N4O3/c1-15-5-7-16(8-6-15)20-14-17(4-3-13-24(27)21(22)26)23-25(20)18-9-11-19(28-2)12-10-18/h5-12,14,27H,13H2,1-2H3,(H2,22,26)
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076644
PNG
(CHEMBL175150 | N-{1-ethyl-3-[1-(4-methoxyphenyl)-5...)
Show SMILES CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(N)=O
Show InChI InChI=1S/C23H24N4O3/c1-4-19(27(29)23(24)28)10-9-18-15-22(17-7-5-16(2)6-8-17)26(25-18)20-11-13-21(30-3)14-12-20/h5-8,11-15,19,29H,4H2,1-3H3,(H2,24,28)
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase(5-LO) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290352
PNG
(Acetic acid 1-(4-fluoro-phenyl)-7-naphthalen-1-ylm...)
Show SMILES CC(=O)OCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2O2/c1-18(31)32-17-26-25-11-5-9-21(16-20-8-4-7-19-6-2-3-10-24(19)20)27(25)30(29-26)23-14-12-22(28)13-15-23/h2-4,6-8,10,12-15,21H,5,9,11,16-17H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076664
PNG
(CHEMBL368145 | N-hydroxy-N-{3-[1-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CCN(O)C(N)=O
Show InChI InChI=1S/C20H17ClN4O3/c1-28-18-10-8-17(9-11-18)25-19(14-4-6-15(21)7-5-14)13-16(23-25)3-2-12-24(27)20(22)26/h4-11,13,27H,12H2,1H3,(H2,22,26)
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076666
PNG
(CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase(5-LO) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290344
PNG
(CHEMBL420978 | Carbonic acid ethyl ester 1-(4-fluo...)
Show SMILES CCOC(=O)OCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27FN2O3/c1-2-33-28(32)34-18-26-25-12-6-10-21(17-20-9-5-8-19-7-3-4-11-24(19)20)27(25)31(30-26)23-15-13-22(29)14-16-23/h3-5,7-9,11,13-16,21H,2,6,10,12,17-18H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076650
PNG
(CHEMBL368682 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(C)C
Show InChI InChI=1S/C25H27N3O3/c1-17(2)25(29)28(30)19(4)8-11-21-16-24(20-9-6-18(3)7-10-20)27(26-21)22-12-14-23(31-5)15-13-22/h6-7,9-10,12-17,19,30H,1-5H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290363
PNG
(3-[1,3]Dioxolan-2-yl-1-(4-fluoro-phenyl)-7-naphtha...)
Show SMILES Fc1ccc(cc1)-n1nc(C2OCCO2)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C27H25FN2O2/c28-21-11-13-22(14-12-21)30-26-20(17-19-7-3-6-18-5-1-2-9-23(18)19)8-4-10-24(26)25(29-30)27-31-15-16-32-27/h1-3,5-7,9,11-14,20,27H,4,8,10,15-17H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076650
PNG
(CHEMBL368682 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(C)C
Show InChI InChI=1S/C25H27N3O3/c1-17(2)25(29)28(30)19(4)8-11-21-16-24(20-9-6-18(3)7-10-20)27(26-21)22-12-14-23(31-5)15-13-22/h6-7,9-10,12-17,19,30H,1-5H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076666
PNG
(CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076662
PNG
(CHEMBL174684 | methyl 1-methyl-3-[1-(4-methoxyphen...)
Show SMILES COC(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H23N3O4/c1-16-5-8-18(9-6-16)22-15-19(10-7-17(2)26(28)23(27)30-4)24-25(22)20-11-13-21(29-3)14-12-20/h5-6,8-9,11-15,17,28H,1-4H3
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n/an/a 140n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290351
PNG
(1-(4-Fluoro-phenyl)-7-naphthalen-1-ylmethyl-3-viny...)
Show SMILES Fc1ccc(cc1)-n1nc(C=C)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C26H23FN2/c1-2-25-24-12-6-10-20(17-19-9-5-8-18-7-3-4-11-23(18)19)26(24)29(28-25)22-15-13-21(27)14-16-22/h2-5,7-9,11,13-16,20H,1,6,10,12,17H2
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n/an/a 147n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50001183
PNG
(3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyr...)
Show SMILES COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (5-LO) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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n/an/a 160n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290376
PNG
(1-(4-Fluoro-phenyl)-7-(4-methoxy-benzyl)-4,5,6,7-t...)
Show SMILES COc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H21FN2O2/c1-27-19-11-5-15(6-12-19)13-16-3-2-4-20-21(14-26)24-25(22(16)20)18-9-7-17(23)8-10-18/h5-12,14,16H,2-4,13H2,1H3
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n/an/a 163n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076641
PNG
(CHEMBL176844 | N-{3-[5-(4-Ethyl-phenyl)-1-(4-metho...)
Show SMILES CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(=O)C(C)C
Show InChI InChI=1S/C26H29N3O3/c1-6-20-8-10-21(11-9-20)25-17-22(12-7-19(4)29(31)26(30)18(2)3)27-28(25)23-13-15-24(32-5)16-14-23/h8-11,13-19,31H,6H2,1-5H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290374
PNG
(Benzoic acid 1-(4-fluoro-phenyl)-7-naphthalen-1-yl...)
Show SMILES Fc1ccc(cc1)-n1nc(COC(=O)c2ccccc2)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C32H27FN2O2/c33-26-16-18-27(19-17-26)35-31-25(20-24-12-6-11-22-8-4-5-14-28(22)24)13-7-15-29(31)30(34-35)21-37-32(36)23-9-2-1-3-10-23/h1-6,8-12,14,16-19,25H,7,13,15,20-21H2
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n/an/a 182n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076642
PNG
(2,2,2-Trifluoro-N-hydroxy-N-{3-[1-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O3/c1-15-4-7-17(8-5-15)21-14-18(9-6-16(2)29(31)22(30)23(24,25)26)27-28(21)19-10-12-20(32-3)13-11-19/h4-5,7-8,10-14,16,31H,1-3H3
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n/an/a 190n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50076661
PNG
(CHEMBL177727 | N-{1-Ethyl-3-[1-(4-methoxy-phenyl)-...)
Show SMILES CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-21(27(29)18(3)28)11-10-20-16-24(19-8-6-17(2)7-9-19)26(25-20)22-12-14-23(30-4)15-13-22/h6-9,12-16,21,29H,5H2,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50290369
PNG
(1-[1-(4-Fluoro-phenyl)-7-naphthalen-1-ylmethyl-4,5...)
Show SMILES CC(O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN2O/c1-17(30)25-24-11-5-9-20(16-19-8-4-7-18-6-2-3-10-23(18)19)26(24)29(28-25)22-14-12-21(27)13-15-22/h2-4,6-8,10,12-15,17,20,30H,5,9,11,16H2,1H3
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n/an/a 236n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit


Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50076653
PNG
(CHEMBL366595 | N-{1-isopropyl-3-[1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C(C)C)N(O)C(N)=O
Show InChI InChI=1S/C24H26N4O3/c1-16(2)22(28(30)24(25)29)14-9-19-15-23(18-7-5-17(3)6-8-18)27(26-19)20-10-12-21(31-4)13-11-20/h5-8,10-13,15-16,22,30H,1-4H3,(H2,25,29)
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
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