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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'cheng' and Initial = 'zb'   
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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041010
PNG
(BAY-736691 | CHEMBL1513993)
Show SMILES C[C@H](Cc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041010
PNG
(BAY-736691 | CHEMBL1513993)
Show SMILES C[C@H](Cc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE9A2 using [3H]cGMP as substrate by scintillation proximity assay


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008731
PNG
(CHEMBL3235992)
Show SMILES [H][C@@]1([#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c(-[#8]1)c1ccccc1n(-[#6])c2=O)\[#6]=[#6]\c1c(-[#8]-[#6])cc(-[#8]-[#6])c2ccc(=O)oc12 |r|
Show InChI InChI=1S/C30H29NO6/c1-17(2)14-18-15-19(36-29-20-8-6-7-9-23(20)31(3)30(33)27(18)29)10-11-21-24(34-4)16-25(35-5)22-12-13-26(32)37-28(21)22/h6-14,16,18-19H,15H2,1-5H3/b11-10+/t18-,19+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(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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n/an/a 590n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(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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n/an/a 600n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008737
PNG
(CHEMBL529210)
Show SMILES COc1cc2ccc(=O)oc2c2C=CC(C)(C)Oc12 |c:13|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-8H,1-3H3
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n/an/a 960n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(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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n/an/a 1.00E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044116
PNG
(CHEMBL3331578)
Show SMILES CCCCC[C@H](OC(C)=O)\C=C\[C@H]1[C@@H](C[C@H](OC(C)=O)[C@@H]1C\C=C/CCCC(=O)OC)OC(C)=O |r|
Show InChI InChI=1S/C27H42O8/c1-6-7-10-13-22(33-19(2)28)16-17-24-23(14-11-8-9-12-15-27(31)32-5)25(34-20(3)29)18-26(24)35-21(4)30/h8,11,16-17,22-26H,6-7,9-10,12-15,18H2,1-5H3/b11-8-,17-16+/t22-,23+,24+,25-,26+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008738
PNG
(CHEMBL3235994)
Show SMILES COc1cc2ccc(=O)oc2c2CCC(C)(C)Oc12
Show InChI InChI=1S/C15H16O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-5,8H,6-7H2,1-3H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008732
PNG
(5-Methoxyseselin | CHEMBL479894)
Show SMILES COc1cc2OC(C)(C)C=Cc2c2oc(=O)ccc12 |c:9|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-8H,1-3H3
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n/an/a 1.87E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008736
PNG
(CHEMBL3235993)
Show SMILES COc1cc2OC(C)(C)CCc2c2oc(=O)ccc12
Show InChI InChI=1S/C15H16O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-5,8H,6-7H2,1-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008739
PNG
(CHEMBL3235995)
Show SMILES CC1(C)Oc2c(O)cc3ccc(=O)oc3c2C=C1 |c:18|
Show InChI InChI=1S/C14H12O4/c1-14(2)6-5-9-12-8(3-4-11(16)17-12)7-10(15)13(9)18-14/h3-7,15H,1-2H3
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n/an/a 2.38E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044119
PNG
(CHEMBL3331573)
Show SMILES CCC(CC[C@H](OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)\C=C\[C@H]1[C@@H](C[C@H](OC(=O)[C@](OC)(c2ccccc2)C(F)(F)F)[C@@H]1C\C=C/CCCC(=O)OC)OC(C)=O)OC(C)=O |r|
Show InChI InChI=1S/C45H54F6O12/c1-7-33(60-29(2)52)24-25-34(62-40(55)42(58-5,44(46,47)48)31-18-12-10-13-19-31)26-27-36-35(22-16-8-9-17-23-39(54)57-4)38(28-37(36)61-30(3)53)63-41(56)43(59-6,45(49,50)51)32-20-14-11-15-21-32/h8,10-16,18-21,26-27,33-38H,7,9,17,22-25,28H2,1-6H3/b16-8-,27-26+/t33?,34-,35+,36+,37+,38-,42+,43+/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044125
PNG
(CHEMBL3331559)
Show SMILES CCC(CC[C@H](OC(C)=O)\C=C\[C@H]1[C@@H](C[C@H](OC(C)=O)[C@@H]1C\C=C/CCCC(=O)OC)OC(C)=O)OC(C)=O |r|
Show InChI InChI=1S/C29H44O10/c1-7-23(36-19(2)30)14-15-24(37-20(3)31)16-17-26-25(12-10-8-9-11-13-29(34)35-6)27(38-21(4)32)18-28(26)39-22(5)33/h8,10,16-17,23-28H,7,9,11-15,18H2,1-6H3/b10-8-,17-16+/t23?,24-,25+,26+,27-,28+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044118
PNG
(CHEMBL3331576)
Show SMILES CCCCC[C@H](OC(C)=O)\C=C\[C@H]1[C@H](O)C[C@H](OC(C)=O)[C@@H]1C\C=C/CCCC(=O)OC |r|
Show InChI InChI=1S/C25H40O7/c1-5-6-9-12-20(31-18(2)26)15-16-21-22(24(17-23(21)28)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h7,10,15-16,20-24,28H,5-6,8-9,11-14,17H2,1-4H3/b10-7-,16-15+/t20-,21+,22+,23+,24-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044117
PNG
(CHEMBL3331577)
Show SMILES CCCCC[C@H](OC(C)=O)\C=C\[C@H]1[C@@H](C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC)OC(C)=O |r|
Show InChI InChI=1S/C25H40O7/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(23(28)17-24(22)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h7,10,15-16,20-24,28H,5-6,8-9,11-14,17H2,1-4H3/b10-7-,16-15+/t20-,21+,22+,23-,24+/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008744
PNG
(CHEMBL3236000)
Show SMILES COC1=CC(=O)c2cc(C)cc(c2C1=O)-c1c(OC)cc(OC)c2ccc(=O)oc12 |t:2,(47.77,-52.9,;47.78,-51.36,;46.45,-50.58,;46.45,-49.04,;45.11,-48.26,;45.11,-46.72,;43.78,-49.03,;42.44,-48.27,;41.11,-49.04,;39.78,-48.27,;41.11,-50.58,;42.44,-51.36,;43.77,-50.58,;45.1,-51.35,;45.1,-52.89,;42.44,-54.07,;41.11,-54.83,;39.77,-54.06,;39.77,-52.52,;41.11,-56.37,;42.44,-57.14,;42.45,-58.68,;41.12,-59.46,;43.77,-56.36,;45.1,-57.12,;46.43,-56.36,;46.42,-54.82,;47.76,-54.05,;45.09,-54.05,;43.77,-54.82,)|
Show InChI InChI=1S/C23H18O7/c1-11-7-13-15(24)9-18(29-4)22(26)20(13)14(8-11)21-17(28-3)10-16(27-2)12-5-6-19(25)30-23(12)21/h5-10H,1-4H3
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n/an/a 5.51E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041016
PNG
(CHEMBL3355396)
Show SMILES COc1ccccc1\C=C\[C@H]1OC[C@H](C\C=C\c2c(OC)cccc2OC)[C@H](O1)c1c(OC)cccc1OC |r|
Show InChI InChI=1S/C32H36O7/c1-33-25-14-7-6-11-22(25)19-20-30-38-21-23(12-8-13-24-26(34-2)15-9-16-27(24)35-3)32(39-30)31-28(36-4)17-10-18-29(31)37-5/h6-11,13-20,23,30,32H,12,21H2,1-5H3/b13-8+,20-19+/t23-,30-,32-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044120
PNG
(CHEMBL3331572)
Show SMILES CCC(CC[C@H](OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)\C=C\[C@H]1[C@@H](C[C@H](OC(=O)[C@@](OC)(c2ccccc2)C(F)(F)F)[C@@H]1C\C=C/CCCC(=O)OC)OC(C)=O)OC(C)=O |r|
Show InChI InChI=1S/C45H54F6O12/c1-7-33(60-29(2)52)24-25-34(62-40(55)42(58-5,44(46,47)48)31-18-12-10-13-19-31)26-27-36-35(22-16-8-9-17-23-39(54)57-4)38(28-37(36)61-30(3)53)63-41(56)43(59-6,45(49,50)51)32-20-14-11-15-21-32/h8,10-16,18-21,26-27,33-38H,7,9,17,22-25,28H2,1-6H3/b16-8-,27-26+/t33?,34-,35+,36+,37+,38-,42-,43-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041015
PNG
(CHEMBL3355397)
Show SMILES COc1ccccc1\C=C\C[C@H]1CO[C@@H](O[C@@H]1c1ccccc1OC)\C=C\c1ccccc1OC |r|
Show InChI InChI=1S/C30H32O5/c1-31-26-16-7-4-11-22(26)13-10-14-24-21-34-29(20-19-23-12-5-8-17-27(23)32-2)35-30(24)25-15-6-9-18-28(25)33-3/h4-13,15-20,24,29-30H,14,21H2,1-3H3/b13-10+,20-19+/t24-,29-,30-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041011
PNG
(CHEMBL3355401)
Show SMILES COc1ccccc1\C=C\C[C@@H]1CO[C@H](O[C@H]1c1ccccc1OC)\C=C\c1ccccc1OC |r|
Show InChI InChI=1S/C30H32O5/c1-31-26-16-7-4-11-22(26)13-10-14-24-21-34-29(20-19-23-12-5-8-17-27(23)32-2)35-30(24)25-15-6-9-18-28(25)33-3/h4-13,15-20,24,29-30H,14,21H2,1-3H3/b13-10+,20-19+/t24-,29-,30-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008742
PNG
(CHEMBL3235998)
Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14(19-4)12-7-8-15(17)20-16(11)12/h5,7-9H,6H2,1-4H3
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n/an/a 6.82E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044121
PNG
(CHEMBL3331570)
Show SMILES CCCCC[C@H](OC(C)=O)\C=C\[C@H]1[C@@H](C[C@H](O)[C@@H]1\C=C\CCCCC(=O)OC)OC(C)=O |r|
Show InChI InChI=1S/C25H40O7/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(23(28)17-24(22)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h10,13,15-16,20-24,28H,5-9,11-12,14,17H2,1-4H3/b13-10+,16-15+/t20-,21+,22+,23-,24+/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041013
PNG
(CHEMBL3355399)
Show SMILES COc1ccccc1\C=C\[C@@H]1OC[C@@H](C\C=C\c2c(OC)cccc2OC)[C@@H](O1)c1ccccc1OC |r|
Show InChI InChI=1S/C31H34O6/c1-32-26-15-7-5-11-22(26)19-20-30-36-21-23(31(37-30)25-13-6-8-16-29(25)35-4)12-9-14-24-27(33-2)17-10-18-28(24)34-3/h5-11,13-20,23,30-31H,12,21H2,1-4H3/b14-9+,20-19+/t23-,30-,31-/m1/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041012
PNG
(CHEMBL3355400)
Show SMILES COc1ccccc1\C=C\[C@@H]1OC[C@@H](C\C=C\c2c(OC)cccc2OC)[C@@H](O1)c1c(OC)cccc1OC |r|
Show InChI InChI=1S/C32H36O7/c1-33-25-14-7-6-11-22(25)19-20-30-38-21-23(12-8-13-24-26(34-2)15-9-16-27(24)35-3)32(39-30)31-28(36-4)17-10-18-29(31)37-5/h6-11,13-20,23,30,32H,12,21H2,1-5H3/b13-8+,20-19+/t23-,30-,32-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008728
PNG
(CHEMBL3235991)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(\[#6]=[#6]\[#6](=O)-[#8]-[#6@@H](-[#6]-c2c(-[#8]-[#6])cc3oc(=O)ccc3c2-[#8]-[#6])C([#6])([#6])[#8])c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C32H38O10/c1-18(2)9-10-20-24(37-5)16-23(33)19(30(20)39-7)11-13-29(35)42-27(32(3,4)36)15-22-25(38-6)17-26-21(31(22)40-8)12-14-28(34)41-26/h9,11-14,16-17,27,33,36H,10,15H2,1-8H3/b13-11+/t27-/m0/s1
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n/an/a 7.81E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041014
PNG
(CHEMBL3355398)
Show SMILES COc1ccc(cc1OC)[C@@H]1O[C@@H](OC[C@H]1C\C=C\c1c(OC)cccc1OC)\C=C\c1ccccc1OC |r|
Show InChI InChI=1S/C32H36O7/c1-33-26-13-7-6-10-22(26)17-19-31-38-21-24(11-8-12-25-27(34-2)14-9-15-28(25)35-3)32(39-31)23-16-18-29(36-4)30(20-23)37-5/h6-10,12-20,24,31-32H,11,21H2,1-5H3/b12-8+,19-17+/t24-,31-,32+/m1/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008740
PNG
(CHEMBL3235996)
Show SMILES [#6]-[#8]-c1cc2oc(=O)ccc2c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3
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n/an/a 9.98E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041017
PNG
(CHEMBL3355395)
Show SMILES COc1ccccc1\C=C\[C@H]1OC[C@H](C\C=C\c2c(OC)cccc2OC)[C@H](O1)c1ccccc1OC |r|
Show InChI InChI=1S/C31H34O6/c1-32-26-15-7-5-11-22(26)19-20-30-36-21-23(31(37-30)25-13-6-8-16-29(25)35-4)12-9-14-24-27(33-2)17-10-18-28(24)34-3/h5-11,13-20,23,30-31H,12,21H2,1-4H3/b14-9+,20-19+/t23-,30-,31-/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008743
PNG
(CHEMBL3235999)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1CCC(C)C
Show InChI InChI=1S/C16H20O4/c1-10(2)5-6-11-13(18-3)9-14(19-4)12-7-8-15(17)20-16(11)12/h7-10H,5-6H2,1-4H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044124
PNG
(CHEMBL3331563)
Show SMILES CCC(=O)CC[C@H](OC(C)=O)\C=C\[C@H]1[C@@H](C[C@H](OC(C)=O)[C@@H]1C\C=C/CCCC(=O)OC)OC(C)=O |r|
Show InChI InChI=1S/C27H40O9/c1-6-21(31)13-14-22(34-18(2)28)15-16-24-23(11-9-7-8-10-12-27(32)33-5)25(35-19(3)29)17-26(24)36-20(4)30/h7,9,15-16,22-26H,6,8,10-14,17H2,1-5H3/b9-7-,16-15+/t22-,23+,24+,25-,26+/m0/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008741
PNG
(CHEMBL3235997)
Show SMILES COc1cc2oc(=O)ccc2c(OC)c1CCC(C)C
Show InChI InChI=1S/C16H20O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h7-10H,5-6H2,1-4H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044123
PNG
(CHEMBL3331566)
Show SMILES CCC(=O)CC[C@H](OC(C)=O)\C=C\[C@H]1[C@@H](C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC)OC(C)=O |r|
Show InChI InChI=1S/C25H38O8/c1-5-19(28)12-13-20(32-17(2)26)14-15-22-21(23(29)16-24(22)33-18(3)27)10-8-6-7-9-11-25(30)31-4/h6,8,14-15,20-24,29H,5,7,9-13,16H2,1-4H3/b8-6-,15-14+/t20-,21+,22+,23-,24+/m0/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50041018
PNG
(CHEMBL3355394)
Show SMILES COc1ccc(cc1OC)[C@H]1O[C@H](OC[C@@H]1C\C=C\c1c(OC)cccc1OC)\C=C\c1ccccc1OC |r|
Show InChI InChI=1S/C32H36O7/c1-33-26-13-7-6-10-22(26)17-19-31-38-21-24(11-8-12-25-27(34-2)14-9-15-28(25)35-3)32(39-31)23-16-18-29(36-4)30(20-23)37-5/h6-10,12-20,24,31-32H,11,21H2,1-5H3/b12-8+,19-17+/t24-,31-,32+/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...


J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50008727
PNG
(CHEMBL3235990)
Show SMILES COc1cc2oc(=O)ccc2c(OC)c1C[C@H](OC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1)C(C)(C)O |r|
Show InChI InChI=1S/C32H36O14/c1-31(2,40)25(12-18-22(42-3)13-23-17(29(18)43-4)7-10-27(37)44-23)46-30(39)32(41)14-21(35)28(38)24(15-32)45-26(36)9-6-16-5-8-19(33)20(34)11-16/h5-11,13,21,24-25,28,33-35,38,40-41H,12,14-15H2,1-4H3/b9-6+/t21-,24-,25+,28-,32+/m1/s1
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Article
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...


J Nat Prod 77: 955-62 (2014)


Article DOI: 10.1021/np401040d
BindingDB Entry DOI: 10.7270/Q2HQ41GQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50044122
PNG
(CHEMBL3331568)
Show SMILES CCC(=O)CC[C@H](OC(C)=O)\C=C\[C@H]1[C@@H](C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)OC(C)=O |r|
Show InChI InChI=1S/C24H36O8/c1-4-18(27)11-12-19(31-16(2)25)13-14-21-20(9-7-5-6-8-10-24(29)30)22(28)15-23(21)32-17(3)26/h5,7,13-14,19-23,28H,4,6,8-12,15H2,1-3H3,(H,29,30)/b7-5-,14-13+/t19-,20+,21+,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.69E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid...


J. Nat. Prod. 77: 1928-36 (2014)


Article DOI: 10.1021/np500394d
BindingDB Entry DOI: 10.7270/Q20866X7
More data for this
Ligand-Target Pair