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Compile Data Set for Download or QSAR

Found 1003 hits with Last Name = 'cox' and Initial = 'p'   
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 4


(Homo sapiens (Human))
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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0.400n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
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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0.400n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50067424
PNG
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50142570
PNG
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50142570
PNG
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50179998
PNG
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F
Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50179998
PNG
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F
Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50156083
PNG
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50156083
PNG
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha1 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50156083
PNG
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50142570
PNG
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha1 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50156083
PNG
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50179998
PNG
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F
Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
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2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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4.5n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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4.5n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215950
PNG
(CHEMBL55046)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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7n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214362
PNG
(CHEMBL102635)
Show SMILES Cc1cn(CCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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12n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215947
PNG
(CHEMBL53710)
Show SMILES COc1ccc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)cc1
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13n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215945
PNG
(CHEMBL54988)
Show SMILES Cc1cn(CCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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21n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215955
PNG
(CHEMBL301448)
Show SMILES Cc1nc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)cs1
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24n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50067424
PNG
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50067424
PNG
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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27n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214422
PNG
(CHEMBL101479)
Show SMILES Cc1cn(CCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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30n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215125
PNG
(CHEMBL102503)
Show SMILES Cc1cn(CC2CCCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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30n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215127
PNG
(CHEMBL102310)
Show SMILES Cc1cn(C2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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38n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215948
PNG
(CHEMBL54361)
Show SMILES Cc1cn(CCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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41n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50067424
PNG
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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49n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha1 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50066789
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)
Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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50n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain membrane


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214506
PNG
(CHEMBL323069)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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51n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215953
PNG
(CHEMBL292925)
Show SMILES COc1ccccc1Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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54n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214749
PNG
(CHEMBL102741)
Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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60n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR in rat cortex


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215944
PNG
(CHEMBL54590)
Show SMILES Cc1cn(Cc2cccc3ccccc23)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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60n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215057
PNG
(CHEMBL322837)
Show SMILES Cc1nc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)cs1
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64n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215952
PNG
(CHEMBL55203)
Show SMILES CCCCCCCn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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66n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214380
PNG
(CHEMBL323132)
Show SMILES Cc1cn(CCCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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67n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215126
PNG
(CHEMBL414417)
Show SMILES Cc1cn(Cc2ccc(cc2)C(F)(F)F)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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67n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214748
PNG
(CHEMBL103007)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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71n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215940
PNG
(CHEMBL53559)
Show SMILES COc1cccc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)c1
PDB
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75n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215943
PNG
(CHEMBL417930)
Show SMILES Cc1cn(Cc2c(C)noc2C)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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75n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215941
PNG
(CHEMBL300395)
Show SMILES Cc1cn(Cc2cccc(c2)[N+]([O-])=O)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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75n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215128
PNG
(CHEMBL318586)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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86n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215108
PNG
(CHEMBL102758)
Show SMILES Cc1cn(Cc2ccc3OCOc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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86n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215123
PNG
(CHEMBL102876)
Show SMILES CC(C)Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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116n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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120n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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120n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215942
PNG
(CHEMBL301201)
Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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135n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215942
PNG
(CHEMBL301201)
Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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135n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214790
PNG
(CHEMBL262269)
Show SMILES Cc1cn(CCCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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135n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215956
PNG
(CHEMBL294831)
Show SMILES Cc1cn(CCN2CCOCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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172n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
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