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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'karlsson' and Initial = 'ja'   
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
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041849
PNG
(3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(3,5-dichloro-pyr...)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(=O)Nc1c(Cl)cncc1Cl |TLB:8:9:15:13.12|
Show InChI InChI=1S/C20H20Cl2N2O3/c1-26-16-5-4-13(20(25)24-19-14(21)9-23-10-15(19)22)8-18(16)27-17-7-11-2-3-12(17)6-11/h4-5,8-12,17H,2-3,6-7H2,1H3,(H,23,24,25)
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041849
PNG
(3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(3,5-dichloro-pyr...)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(=O)Nc1c(Cl)cncc1Cl |TLB:8:9:15:13.12|
Show InChI InChI=1S/C20H20Cl2N2O3/c1-26-16-5-4-13(20(25)24-19-14(21)9-23-10-15(19)22)8-18(16)27-17-7-11-2-3-12(17)6-11/h4-5,8-12,17H,2-3,6-7H2,1H3,(H,23,24,25)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054959
PNG
((4aS,4bR,5S,6aS,6bR,9aR)-4b-Fluoro-5-hydroxy-4a,6a...)
Show SMILES CS[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C |c:19,t:15|
Show InChI InChI=1S/C23H31FO4S/c1-19(2)27-18-11-16-15-7-6-13-10-14(25)8-9-20(13,3)22(15,24)17(26)12-21(16,4)23(18,28-19)29-5/h8-10,15-18,26H,6-7,11-12H2,1-5H3/t15?,16?,17-,18+,20-,21-,22-,23-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054966
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-4a...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC |c:15,t:11|
Show InChI InChI=1S/C24H33FO4S/c1-5-6-20-28-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,29-20)30-4/h9-11,16-20,27H,5-8,12-13H2,1-4H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50407988
PNG
(CHEMBL2112857)
Show SMILES CS[C@@]12O[C@@H](O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C)\C=C\C |c:17,t:13|
Show InChI InChI=1S/C24H31FO4S/c1-5-6-20-28-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,29-20)30-4/h5-6,9-11,16-20,27H,7-8,12-13H2,1-4H3/b6-5+/t16-,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041853
PNG
(3-Cyclopentyloxy-N-(3,5-dichloro-1-oxy-pyridin-4-y...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C18H18Cl2N2O4/c1-25-15-7-6-11(8-16(15)26-12-4-2-3-5-12)18(23)21-17-13(19)9-22(24)10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054953
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-4a...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC |t:11|
Show InChI InChI=1S/C24H35FO4S/c1-5-6-20-28-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,29-20)30-4/h11,16-20,27H,5-10,12-13H2,1-4H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054964
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-6b-...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCF |c:16,t:12|
Show InChI InChI=1S/C24H31F3O4S/c1-4-5-20-30-19-10-14-15-9-17(26)16-8-13(28)6-7-21(16,2)23(15,27)18(29)11-22(14,3)24(19,31-20)32-12-25/h6-8,14-15,17-20,29H,4-5,9-12H2,1-3H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054955
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-5-h...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC |t:12|
Show InChI InChI=1S/C24H34F2O4S/c1-5-6-20-29-19-11-14-15-10-17(25)16-9-13(27)7-8-21(16,2)23(15,26)18(28)12-22(14,3)24(19,30-20)31-4/h9,14-15,17-20,28H,5-8,10-12H2,1-4H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054961
PNG
((4aS,4bR,5S,6aS,6bR,9aR,12S)-4b,12-Difluoro-5-hydr...)
Show SMILES CS[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C |c:20,t:16|
Show InChI InChI=1S/C23H30F2O4S/c1-19(2)28-18-10-13-14-9-16(24)15-8-12(26)6-7-20(15,3)22(14,25)17(27)11-21(13,4)23(18,29-19)30-5/h6-8,13-14,16-18,27H,9-11H2,1-5H3/t13?,14?,16-,17-,18+,20-,21-,22-,23-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50369181
PNG
(TIPREDANE)
Show SMILES CCS[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)SC |c:14,t:10|
Show InChI InChI=1S/C22H31FO2S2/c1-5-27-21(26-4)11-9-16-17-7-6-14-12-15(24)8-10-19(14,2)22(17,23)18(25)13-20(16,21)3/h8,10,12,16-18,25H,5-7,9,11,13H2,1-4H3/t16-,17-,18-,19-,20-,21+,22-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054960
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-5-h...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC |c:16,t:12|
Show InChI InChI=1S/C24H32F2O4S/c1-5-6-20-29-19-11-14-15-10-17(25)16-9-13(27)7-8-21(16,2)23(15,26)18(28)12-22(14,3)24(19,30-20)31-4/h7-9,14-15,17-20,28H,5-6,10-12H2,1-4H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50354850
PNG
(BUDESONIDE)
Show SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:15,t:11|
Show InChI InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054952
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-6b...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S(C)=O |c:15,t:11|
Show InChI InChI=1S/C24H33FO5S/c1-5-6-20-29-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,30-20)31(4)28/h9-11,16-20,27H,5-8,12-13H2,1-4H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-,31?/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054962
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-6b-fluoromet...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCF |c:15,t:11|
Show InChI InChI=1S/C24H32F2O4S/c1-4-5-20-29-19-11-17-16-7-6-14-10-15(27)8-9-21(14,2)23(16,26)18(28)12-22(17,3)24(19,30-20)31-13-25/h8-10,16-20,28H,4-7,11-13H2,1-3H3/t16?,17?,18-,19+,20+,21-,22-,23-,24-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054963
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-6b-Ethylsulfanyl-4b-fl...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCC |c:15,t:11|
Show InChI InChI=1S/C25H35FO4S/c1-5-7-21-29-20-13-18-17-9-8-15-12-16(27)10-11-22(15,3)24(17,26)19(28)14-23(18,4)25(20,30-21)31-6-2/h10-12,17-21,28H,5-9,13-14H2,1-4H3/t17?,18?,19-,20+,21+,22-,23-,24-,25-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50407989
PNG
(CHEMBL2112850)
Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCF |c:15,t:11|
Show InChI InChI=1S/C23H29F3O4S/c1-19(2)29-18-9-13-14-8-16(25)15-7-12(27)5-6-20(15,3)22(14,26)17(28)10-21(13,4)23(18,30-19)31-11-24/h5-7,13-14,16-18,28H,8-11H2,1-4H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50407990
PNG
(CHEMBL2112858)
Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S(C)(=O)=O |c:14,t:10|
Show InChI InChI=1S/C23H31FO6S/c1-19(2)29-18-11-16-15-7-6-13-10-14(25)8-9-20(13,3)22(15,24)17(26)12-21(16,4)23(18,30-19)31(5,27)28/h8-10,15-18,26H,6-7,11-12H2,1-5H3/t15-,16-,17-,18+,20-,21-,22-,23-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054967
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-6b...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC(C)C |c:15,t:11|
Show InChI InChI=1S/C26H37FO4S/c1-6-7-22-30-21-13-19-18-9-8-16-12-17(28)10-11-23(16,4)25(18,27)20(29)14-24(19,5)26(21,31-22)32-15(2)3/h10-12,15,18-22,29H,6-9,13-14H2,1-5H3/t18?,19?,20-,21+,22+,23-,24-,25-,26-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041831
PNG
(3-Cyclopentyloxy-N-(3,5-dibromo-pyridin-4-yl)-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Br)cncc1Br
Show InChI InChI=1S/C18H18Br2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 7n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041846
PNG
(3-Butoxy-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-b...)
Show SMILES CCCCOc1cc(ccc1OC)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H18Cl2N2O3/c1-3-4-7-24-15-8-11(5-6-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,21,22)
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n/an/a 8n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041886
PNG
(3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(2,6-dichloro-phe...)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(=O)Nc1c(Cl)cccc1Cl |TLB:8:9:15:13.12|
Show InChI InChI=1S/C21H21Cl2NO3/c1-26-17-8-7-14(21(25)24-20-15(22)3-2-4-16(20)23)11-19(17)27-18-10-12-5-6-13(18)9-12/h2-4,7-8,11-13,18H,5-6,9-10H2,1H3,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054957
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-4a...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)Sc1ccccn1 |c:15,t:11|
Show InChI InChI=1S/C28H34FNO4S/c1-4-7-24-33-22-15-20-19-10-9-17-14-18(31)11-12-25(17,2)27(19,29)21(32)16-26(20,3)28(22,34-24)35-23-8-5-6-13-30-23/h5-6,8,11-14,19-22,24,32H,4,7,9-10,15-16H2,1-3H3/t19?,20?,21-,22+,24+,25-,26-,27-,28-/m0/s1
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Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041847
PNG
(CHEMBL295976 | N-(3-Chloro-pyridin-4-yl)-3-cyclope...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccncc1Cl
Show InChI InChI=1S/C18H19ClN2O3/c1-23-16-7-6-12(10-17(16)24-13-4-2-3-5-13)18(22)21-15-8-9-20-11-14(15)19/h6-11,13H,2-5H2,1H3,(H,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041875
PNG
(3-Cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-pyri...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)c(F)nc(F)c1Cl
Show InChI InChI=1S/C18H16Cl2F2N2O3/c1-26-11-7-6-9(8-12(11)27-10-4-2-3-5-10)18(25)23-15-13(19)16(21)24-17(22)14(15)20/h6-8,10H,2-5H2,1H3,(H,23,24,25)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50054951
PNG
((4aS,4bR,5S,6aS,6bR,9aR)-4b-Fluoro-5-hydroxy-4a,6a...)
Show SMILES CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)Sc1ccccn1 |c:14,t:10|
Show InChI InChI=1S/C27H32FNO4S/c1-23(2)32-21-14-19-18-9-8-16-13-17(30)10-11-24(16,3)26(18,28)20(31)15-25(19,4)27(21,33-23)34-22-7-5-6-12-29-22/h5-7,10-13,18-21,31H,8-9,14-15H2,1-4H3/t18?,19?,20-,21+,24-,25-,26-,27-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041838
PNG
(3-(cyclopentyloxy)-N-(2,6-dichlorophenyl)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H19Cl2NO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041869
PNG
(3-Cyclopentyloxy-N-(3,5-dimethyl-pyridin-4-yl)-4-m...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(C)cncc1C
Show InChI InChI=1S/C20H24N2O3/c1-13-11-21-12-14(2)19(13)22-20(23)15-8-9-17(24-3)18(10-15)25-16-6-4-5-7-16/h8-12,16H,4-7H2,1-3H3,(H,21,22,23)
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n/an/a 35n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041824
PNG
(3-Cyclohexyloxy-N-(3,5-dichloro-pyridin-4-yl)-4-me...)
Show SMILES COc1ccc(cc1OC1CCCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C19H20Cl2N2O3/c1-25-16-8-7-12(9-17(16)26-13-5-3-2-4-6-13)19(24)23-18-14(20)10-22-11-15(18)21/h7-11,13H,2-6H2,1H3,(H,22,23,24)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041879
PNG
(3-Butoxy-N-(3,5-dibromo-pyridin-4-yl)-4-methoxy-be...)
Show SMILES CCCCOc1cc(ccc1OC)C(=O)Nc1c(Br)cncc1Br
Show InChI InChI=1S/C17H18Br2N2O3/c1-3-4-7-24-15-8-11(5-6-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,21,22)
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n/an/a 70n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041844
PNG
(3-(cyclopentyloxy)-N-(2,6-difluorophenyl)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C19H19F2NO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041877
PNG
(3-Cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-pyri...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(F)cnc(F)c1F
Show InChI InChI=1S/C18H17F3N2O3/c1-25-13-7-6-10(8-14(13)26-11-4-2-3-5-11)18(24)23-16-12(19)9-22-17(21)15(16)20/h6-9,11H,2-5H2,1H3,(H,22,23,24)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041873
PNG
(CHEMBL47286 | N-(3-Chloro-2,5,6-trifluoro-pyridin-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(F)c(F)nc(F)c1Cl
Show InChI InChI=1S/C18H16ClF3N2O3/c1-26-11-7-6-9(8-12(11)27-10-4-2-3-5-10)18(25)23-15-13(19)16(21)24-17(22)14(15)20/h6-8,10H,2-5H2,1H3,(H,23,24,25)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041854
PNG
(CHEMBL294949 | N-(2-Chloro-6-methyl-phenyl)-3-cycl...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(C)cccc1Cl
Show InChI InChI=1S/C20H22ClNO3/c1-13-6-5-9-16(21)19(13)22-20(23)14-10-11-17(24-2)18(12-14)25-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041866
PNG
(CHEMBL48017 | N-(3,5-Dichloro-pyridin-4-yl)-3,4-di...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C14H12Cl2N2O3/c1-20-11-4-3-8(5-12(11)21-2)14(19)18-13-9(15)6-17-7-10(13)16/h3-7H,1-2H3,(H,17,18,19)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041826
PNG
(3-Cyclopentyloxy-N-(2,6-dimethyl-phenyl)-4-methoxy...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H25NO3/c1-14-7-6-8-15(2)20(14)22-21(23)16-11-12-18(24-3)19(13-16)25-17-9-4-5-10-17/h6-8,11-13,17H,4-5,9-10H2,1-3H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041856
PNG
(CHEMBL48048 | N-(4-Chloro-pyridin-3-yl)-3-cyclopen...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1cnccc1Cl
Show InChI InChI=1S/C18H19ClN2O3/c1-23-16-7-6-12(10-17(16)24-13-4-2-3-5-13)18(22)21-15-11-20-9-8-14(15)19/h6-11,13H,2-5H2,1H3,(H,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041845
PNG
(CHEMBL296700 | N-(2-Bromo-phenyl)-3-cyclopentyloxy...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Br
Show InChI InChI=1S/C19H20BrNO3/c1-23-17-11-10-13(12-18(17)24-14-6-2-3-7-14)19(22)21-16-9-5-4-8-15(16)20/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041828
PNG
(CHEMBL289190 | N-(2-Chloro-phenyl)-3-cyclopentylox...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H20ClNO3/c1-23-17-11-10-13(12-18(17)24-14-6-2-3-7-14)19(22)21-16-9-5-4-8-15(16)20/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,22)
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n/an/a 190n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041883
PNG
(CHEMBL45359 | N-(2-Chloro-phenyl)-3-cyclopentyloxy...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C19H20ClNO2S/c1-22-17-11-10-13(12-18(17)23-14-6-2-3-7-14)19(24)21-16-9-5-4-8-15(16)20/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,24)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041864
PNG
(CHEMBL47288 | N-(5-Cyano-3-methyl-isothiazol-4-yl)...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(C)nsc1C#N
Show InChI InChI=1S/C18H19N3O3S/c1-11-17(16(10-19)25-21-11)20-18(22)12-7-8-14(23-2)15(9-12)24-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3,(H,20,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041855
PNG
(CHEMBL45128 | N-(2-Chloro-6-fluoro-phenyl)-3-cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(F)cccc1Cl
Show InChI InChI=1S/C19H19ClFNO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041822
PNG
(3-Cyclopentyloxy-4-methoxy-N-pyrazin-2-yl-benzamid...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1cnccn1
Show InChI InChI=1S/C17H19N3O3/c1-22-14-7-6-12(10-15(14)23-13-4-2-3-5-13)17(21)20-16-11-18-8-9-19-16/h6-11,13H,2-5H2,1H3,(H,19,20,21)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041851
PNG
(3-Cyclopentyloxy-4-methoxy-N-(2-nitro-phenyl)-benz...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O5/c1-25-17-11-10-13(12-18(17)26-14-6-2-3-7-14)19(22)20-15-8-4-5-9-16(15)21(23)24/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041858
PNG
(3-Cyclopentyloxy-4-methoxy-N-o-tolyl-benzamide | C...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C20H23NO3/c1-14-7-3-6-10-17(14)21-20(22)15-11-12-18(23-2)19(13-15)24-16-8-4-5-9-16/h3,6-7,10-13,16H,4-5,8-9H2,1-2H3,(H,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041825
PNG
(3-Butoxy-N-(2,6-difluoro-phenyl)-4-methoxy-benzami...)
Show SMILES CCCCOc1cc(ccc1OC)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C18H19F2NO3/c1-3-4-10-24-16-11-12(8-9-15(16)23-2)18(22)21-17-13(19)6-5-7-14(17)20/h5-9,11H,3-4,10H2,1-2H3,(H,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041881
PNG
(CHEMBL441431 | N-(3-Chloro-pyridin-2-yl)-3-cyclope...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1ncccc1Cl
Show InChI InChI=1S/C18H19ClN2O3/c1-23-15-9-8-12(11-16(15)24-13-5-2-3-6-13)18(22)21-17-14(19)7-4-10-20-17/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,21,22)
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Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
Phosphodiesterase 4A


(Sus scrofa)
BDBM50041880
PNG
(3-Cyclopentyloxy-N-(2,6-dichloro-6H-pyrimidin-1-yl...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)NN1C(Cl)C=CN=C1Cl |c:22,24|
Show InChI InChI=1S/C17H19Cl2N3O3/c1-24-13-7-6-11(10-14(13)25-12-4-2-3-5-12)16(23)21-22-15(18)8-9-20-17(22)19/h6-10,12,15H,2-5H2,1H3,(H,21,23)
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n/an/a 400n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory potency against pig aortic PDE IV


J Med Chem 37: 1696-703 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9P5F
More data for this
Ligand-Target Pair
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