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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50047365   
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))		BDBM50162702
PNG
(CHEMBL3793675)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@@H](OC(=O)\C=C\c1ccc(O)cc1)C2(C)C |r,t:9|
Show InChI InChI=1S/C39H52O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,24,28-30,32-33,40-41H,1,14,16-22H2,2-7H3,(H,43,44)/b15-10+/t24-,28+,29-,30+,32-,33+,36-,37+,38+,39-/m0/s1
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n/an/a 245n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162724
PNG
(CHEMBL3793522)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@@H](OC(=O)\C=C/c1ccc(O)cc1)C2(C)C |r,t:9|
Show InChI InChI=1S/C39H52O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,24,28-30,32-33,40-41H,1,14,16-22H2,2-7H3,(H,43,44)/b15-10-/t24-,28+,29-,30+,32-,33+,36-,37+,38+,39-/m0/s1
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n/an/a 542n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50042056
PNG
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=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)/t12-/m1/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162715
PNG
(CHEMBL3792576)
Show SMILES [H][C@@]12[C@@H](C)C(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:16|
Show InChI InChI=1S/C31H50O3/c1-19-24-20-9-10-22-28(6)13-12-23(32)27(4,5)21(28)11-14-30(22,8)29(20,7)16-18-31(24,25(33)34)17-15-26(19,2)3/h9,19,21-24,32H,10-18H2,1-8H3,(H,33,34)/t19-,21+,22-,23+,24+,28+,29-,30-,31+/m1/s1
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n/an/a 6.57E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162712
PNG
(CHEMBL3792892)
Show SMILES [H][C@]12O[C@]1(Oc1cc(O)cc(O)c1[C@@H]2c1c(O)cc(O)c2C[C@@H](O)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H24O12/c31-13-7-20(37)24-23(8-13)41-30(12-2-4-16(33)19(36)6-12)29(42-30)26(24)25-21(38)10-17(34)14-9-22(39)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-27,29,31-39H,9H2/t22-,26-,27-,29-,30-/m1/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162710
PNG
(CHEMBL3793366)
Show SMILES COc1cc2C[C@@H](CO)[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](c3ccc(O)c(OC)c3)c2cc1O |r|
Show InChI InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19+,22-,23-,24+,25+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162711
PNG
(CHEMBL3794130)
Show SMILES [H][C@]12O[C@]1(Oc1cc(O)cc(O)c1[C@@H]2c1c(O)cc(O)c2C[C@H](O)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H24O12/c31-13-7-20(37)24-23(8-13)41-30(12-2-4-16(33)19(36)6-12)29(42-30)26(24)25-21(38)10-17(34)14-9-22(39)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-27,29,31-39H,9H2/t22-,26+,27+,29+,30+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162719
PNG
(CHEMBL3342057)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@@H](O)C2(C)C |r,t:9|
Show InChI InChI=1S/C30H46O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162707
PNG
(CHEMBL3793756)
Show SMILES COc1cc(CCCO)cc2[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](Oc12)c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C25H32O10/c1-31-19-10-14(5-6-17(19)27)23-16(11-33-25-22(30)21(29)18(28)12-34-25)15-8-13(4-3-7-26)9-20(32-2)24(15)35-23/h5-6,8-10,16,18,21-23,25-30H,3-4,7,11-12H2,1-2H3/t16-,18+,21-,22+,23+,25+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162706
PNG
(CHEMBL3792407)
Show SMILES COc1cc(CCCO)cc2[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](Oc12)c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C25H32O10/c1-31-19-10-14(5-6-17(19)27)23-16(11-33-25-22(30)21(29)18(28)12-34-25)15-8-13(4-3-7-26)9-20(32-2)24(15)35-23/h5-6,8-10,16,18,21-23,25-30H,3-4,7,11-12H2,1-2H3/t16-,18-,21+,22-,23+,25-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162705
PNG
(CHEMBL3793885)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1C[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CC[C@@H](CC)C(C)C |r,t:9|
Show InChI InChI=1S/C52H92O6/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-47(53)57-35-39-33-46(49(55)50(56)48(39)54)58-41-29-31-51(6)40(34-41)25-26-42-44-28-27-43(52(44,7)32-30-45(42)51)37(5)23-24-38(9-2)36(3)4/h25,36-39,41-46,48-50,54-56H,8-24,26-35H2,1-7H3/t37-,38-,39-,41?,42+,43-,44+,45+,46-,48-,49+,50+,51+,52-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162704
PNG
(CHEMBL3793371)
Show SMILES COc1cc(CCCO)cc(OC)c1O
Show InChI InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50162703
PNG
(CHEMBL3792568)
Show SMILES C[C@@H](O)\C=C\[C@]1(O)C(C)=CC(=O)CC1(C)C |r,c:8|
Show InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50378458
PNG
(LYONISIDE)
Show SMILES COc1cc2C[C@@H](CO)[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](c3cc(OC)c(O)c(OC)c3)c2c(OC)c1O |r|
Show InChI InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16+,20+,22-,25+,27+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counti...

Eur J Med Chem 114: 134-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.002
BindingDB Entry DOI: 10.7270/Q2765H8J
More data for this
Ligand-Target Pair