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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50030952   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304417
PNG
(CHEMBL593656 | CHEMBL593877 | cis-(+/-)-4-(3,4-Dim...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304410
PNG
(CHEMBL594108 | cis-2-[(E)-4-(1H-Imidazol-1-yl)but-...)
Show SMILES COc1ccc(cc1OC)C1=NN(C\C=C\Cn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:28,t:11|
Show InChI InChI=1S/C23H26N4O3/c1-29-20-10-9-17(15-21(20)30-2)22-18-7-3-4-8-19(18)23(28)27(25-22)13-6-5-12-26-14-11-24-16-26/h3-6,9-11,14-16,18-19H,7-8,12-13H2,1-2H3/b6-5+/t18-,19+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304411
PNG
(CHEMBL594109 | cis-2-{4-[(1H-Imidazol-1-yl)methyl]...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(Cn3ccnc3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:33,t:11|
Show InChI InChI=1S/C27H28N4O3/c1-33-24-12-11-21(15-25(24)34-2)26-22-5-3-4-6-23(22)27(32)31(29-26)17-20-9-7-19(8-10-20)16-30-14-13-28-18-30/h3-4,7-15,18,22-23H,5-6,16-17H2,1-2H3/t22-,23+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304417
PNG
(CHEMBL593656 | CHEMBL593877 | cis-(+/-)-4-(3,4-Dim...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304412
PNG
(CHEMBL595064 | cis-4-(3,4-Dimethoxyphenyl)-2-{4-[(...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCC(=O)CC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:35,t:11|
Show InChI InChI=1S/C29H33N3O4/c1-35-26-12-11-22(17-27(26)36-2)28-24-5-3-4-6-25(24)29(34)32(30-28)19-21-9-7-20(8-10-21)18-31-15-13-23(33)14-16-31/h3-4,7-12,17,24-25H,5-6,13-16,18-19H2,1-2H3/t24-,25+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304417
PNG
(CHEMBL593656 | CHEMBL593877 | cis-(+/-)-4-(3,4-Dim...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304423
PNG
(CHEMBL595272 | cis-4-(3,4-Dimethoxyphenyl)-2-[4-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccccc2CN2CCOCC2)C(=O)[C@@H]2CCCC[C@H]12 |r,t:11|
Show InChI InChI=1S/C28H35N3O4/c1-33-25-12-11-20(17-26(25)34-2)27-23-9-5-6-10-24(23)28(32)31(29-27)19-22-8-4-3-7-21(22)18-30-13-15-35-16-14-30/h3-4,7-8,11-12,17,23-24H,5-6,9-10,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304413
PNG
(CHEMBL596447 | cis-2-[4-(1,4-Dioxa-8-azaspiro[4.5]...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCC4(CC3)OCCO4)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:39,t:11|
Show InChI InChI=1S/C31H37N3O5/c1-36-27-12-11-24(19-28(27)37-2)29-25-5-3-4-6-26(25)30(35)34(32-29)21-23-9-7-22(8-10-23)20-33-15-13-31(14-16-33)38-17-18-39-31/h3-4,7-12,19,25-26H,5-6,13-18,20-21H2,1-2H3/t25-,26+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304419
PNG
(CHEMBL592931 | cis-4-(3,4-Dimethoxyphenyl)-2-[2-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccccc2CN2CCOCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-20(17-26(25)34-2)27-23-9-5-6-10-24(23)28(32)31(29-27)19-22-8-4-3-7-21(22)18-30-13-15-35-16-14-30/h3-8,11-12,17,23-24H,9-10,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304418
PNG
(CHEMBL596394 | cis-4-(3,4-Dimethoxyphenyl)-2-[3-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2cccc(CN3CCOCC3)c2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-11-10-22(17-26(25)34-2)27-23-8-3-4-9-24(23)28(32)31(29-27)19-21-7-5-6-20(16-21)18-30-12-14-35-15-13-30/h3-7,10-11,16-17,23-24H,8-9,12-15,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304415
PNG
(CHEMBL595038 | cis-4-(3,4-Dimethoxyphenyl)-2-{4-[(...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCN(C)CC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:35,t:11|
Show InChI InChI=1S/C29H36N4O3/c1-31-14-16-32(17-15-31)19-21-8-10-22(11-9-21)20-33-29(34)25-7-5-4-6-24(25)28(30-33)23-12-13-26(35-2)27(18-23)36-3/h4-5,8-13,18,24-25H,6-7,14-17,19-20H2,1-3H3/t24-,25+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304422
PNG
(CHEMBL605096 | cis-5-(3,4-Dimethoxyphenyl)-3-[4-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC[C@H]12 |r,t:11|
Show InChI InChI=1S/C26H31N3O4/c1-31-23-10-7-20(15-24(23)32-2)25-21-8-9-22(21)26(30)29(27-25)17-19-5-3-18(4-6-19)16-28-11-13-33-14-12-28/h3-7,10,15,21-22H,8-9,11-14,16-17H2,1-2H3/t21-,22+/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304409
PNG
(CHEMBL595959 | cis-2-{2-[2-(1H-Imidazol-1-yl)ethox...)
Show SMILES COc1ccc(cc1OC)C1=NN(CCOCCn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:29,t:11|
Show InChI InChI=1S/C23H28N4O4/c1-29-20-8-7-17(15-21(20)30-2)22-18-5-3-4-6-19(18)23(28)27(25-22)12-14-31-13-11-26-10-9-24-16-26/h3-4,7-10,15-16,18-19H,5-6,11-14H2,1-2H3/t18-,19+/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304414
PNG
(CHEMBL603626 | cis-4-(3,4-Dimethoxyphenyl)-2-[4-(p...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCCCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C29H35N3O3/c1-34-26-15-14-23(18-27(26)35-2)28-24-8-4-5-9-25(24)29(33)32(30-28)20-22-12-10-21(11-13-22)19-31-16-6-3-7-17-31/h4-5,10-15,18,24-25H,3,6-9,16-17,19-20H2,1-2H3/t24-,25+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304416
PNG
(CHEMBL595039 | cis-4-(3,4-Dimethoxyphenyl)-2-{4-[(...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN(C)C)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:30,t:11|
Show InChI InChI=1S/C26H31N3O3/c1-28(2)16-18-9-11-19(12-10-18)17-29-26(30)22-8-6-5-7-21(22)25(27-29)20-13-14-23(31-3)24(15-20)32-4/h5-6,9-15,21-22H,7-8,16-17H2,1-4H3/t21-,22+/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304408
PNG
(CHEMBL605935 | N-[3-(1H-Imidazol-1-yl)propyl]-2-[c...)
Show SMILES COc1ccc(cc1OC)C1=NN(CC(=O)NCCCn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:31,t:11|
Show InChI InChI=1S/C24H29N5O4/c1-32-20-9-8-17(14-21(20)33-2)23-18-6-3-4-7-19(18)24(31)29(27-23)15-22(30)26-10-5-12-28-13-11-25-16-28/h3-4,8-9,11,13-14,16,18-19H,5-7,10,12,15H2,1-2H3,(H,26,30)/t18-,19+/m0/s1
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n/an/a 14.3n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304421
PNG
(CHEMBL603194 | cis-5-(3,4-Dimethoxyphenyl)-3-[4-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2C[C@H]12 |r,t:11|
Show InChI InChI=1S/C25H29N3O4/c1-30-22-8-7-19(13-23(22)31-2)24-20-14-21(20)25(29)28(26-24)16-18-5-3-17(4-6-18)15-27-9-11-32-12-10-27/h3-8,13,20-21H,9-12,14-16H2,1-2H3/t20-,21+/m0/s1
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n/an/a 16.4n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304420
PNG
(6-(3,4-Dimethoxyphenyl)-2-[4-(morpholinomethyl)ben...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)CC1 |t:11|
Show InChI InChI=1S/C24H29N3O4/c1-29-22-9-7-20(15-23(22)30-2)21-8-10-24(28)27(25-21)17-19-5-3-18(4-6-19)16-26-11-13-31-14-12-26/h3-7,9,15H,8,10-14,16-17H2,1-2H3
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n/an/a 45.9n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50304391
PNG
((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,c:18,t:11|
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)/t11-,12+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair