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Compile Data Set for Download or QSAR

Found 16 hits from Celltech R&D   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50218255
PNG
(CHEMBL290100)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 1n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50219815
PNG
(CHEMBL43570)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C15H9Cl2F3N4O2/c1-26-9-3-2-6(10-12(9)24-14(23-10)15(18,19)20)13(25)22-11-7(16)4-21-5-8(11)17/h2-5H,1H3,(H,23,24)(H,21,22,25)
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n/an/a 20n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218255
PNG
(CHEMBL290100)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 20n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
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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n/an/a 20n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50219817
PNG
(CHEMBL43607)
Show SMILES COc1ccc(C(=O)Nc2ccncc2Cl)c2cccnc12
Show InChI InChI=1S/C16H12ClN3O2/c1-22-14-5-4-11(10-3-2-7-19-15(10)14)16(21)20-13-6-8-18-9-12(13)17/h2-9H,1H3,(H,18,20,21)
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n/an/a 110n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50219815
PNG
(CHEMBL43570)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C15H9Cl2F3N4O2/c1-26-9-3-2-6(10-12(9)24-14(23-10)15(18,19)20)13(25)22-11-7(16)4-21-5-8(11)17/h2-5H,1H3,(H,23,24)(H,21,22,25)
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n/an/a 120n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50219816
PNG
(CHEMBL39058)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc12
Show InChI InChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-10(9-3-2-6-20-14(9)13)16(22)21-15-11(17)7-19-8-12(15)18/h2-8H,1H3,(H,19,21,22)
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n/an/a 170n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50219818
PNG
(CHEMBL295994)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2n(C)c(nc12)C(C)=O
Show InChI InChI=1S/C17H14Cl2N4O3/c1-8(24)16-21-14-12(26-3)5-4-9(15(14)23(16)2)17(25)22-13-10(18)6-20-7-11(13)19/h4-7H,1-3H3,(H,20,22,25)
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n/an/a 200n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50219813
PNG
(CHEMBL296358)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2n(C)c(nc12)C(F)(F)F
Show InChI InChI=1S/C16H11Cl2F3N4O2/c1-25-13-7(14(26)23-11-8(17)5-22-6-9(11)18)3-4-10(27-2)12(13)24-15(25)16(19,20)21/h3-6H,1-2H3,(H,22,23,26)
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n/an/a 290n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50219813
PNG
(CHEMBL296358)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2n(C)c(nc12)C(F)(F)F
Show InChI InChI=1S/C16H11Cl2F3N4O2/c1-25-13-7(14(26)23-11-8(17)5-22-6-9(11)18)3-4-10(27-2)12(13)24-15(25)16(19,20)21/h3-6H,1-2H3,(H,22,23,26)
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UniChem
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n/an/a 460n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50219817
PNG
(CHEMBL43607)
Show SMILES COc1ccc(C(=O)Nc2ccncc2Cl)c2cccnc12
Show InChI InChI=1S/C16H12ClN3O2/c1-22-14-5-4-11(10-3-2-7-19-15(10)14)16(21)20-13-6-8-18-9-12(13)17/h2-9H,1H3,(H,18,20,21)
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n/an/a 480n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50219818
PNG
(CHEMBL295994)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2n(C)c(nc12)C(C)=O
Show InChI InChI=1S/C17H14Cl2N4O3/c1-8(24)16-21-14-12(26-3)5-4-9(15(14)23(16)2)17(25)22-13-10(18)6-20-7-11(13)19/h4-7H,1-3H3,(H,20,22,25)
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PubMed
n/an/a 480n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50219816
PNG
(CHEMBL39058)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc12
Show InChI InChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-10(9-3-2-6-20-14(9)13)16(22)21-15-11(17)7-19-8-12(15)18/h2-8H,1H3,(H,19,21,22)
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n/an/a 530n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50219814
PNG
(CHEMBL288808)
Show SMILES COc1ccc(C(=O)Nc2ccncc2)c2cccnc12
Show InChI InChI=1S/C16H13N3O2/c1-21-14-5-4-13(12-3-2-8-18-15(12)14)16(20)19-11-6-9-17-10-7-11/h2-10H,1H3,(H,17,19,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
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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n/an/a 3.50E+3n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50219814
PNG
(CHEMBL288808)
Show SMILES COc1ccc(C(=O)Nc2ccncc2)c2cccnc12
Show InChI InChI=1S/C16H13N3O2/c1-21-14-5-4-13(12-3-2-8-18-15(12)14)16(20)19-11-6-9-17-10-7-11/h2-10H,1H3,(H,17,19,20)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain


Bioorg Med Chem Lett 12: 1613-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00223-8
More data for this
Ligand-Target Pair