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Compile Data Set for Download or QSAR

Found 221 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' AND taxid = 10090   
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/cAMP-specific 3',5'-cyclic phosphodiesterase 4A/cAMP-specific 3',5'-cyclic phosphodiesterase 4C/cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus-Mus musculus (Mouse))		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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TBA

Assay Description
Inhibition of [3H]rolipram binding to Phosphodiesterase 4 (PDE IV)

Citation and Details

BindingDB Entry DOI: 10.7270/Q2T155SP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Phosphodiesterase/cAMP-specific 3',5'-cyclic phosphodiesterase 4A/cAMP-specific 3',5'-cyclic phosphodiesterase 4C/cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus-Mus musculus (Mouse))		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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TBA

Assay Description
Displacement of [3H]-Rolipram from mouse brain homogenates

Citation and Details

BindingDB Entry DOI: 10.7270/Q2P84F2C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Phosphodiesterase/cAMP-specific 3',5'-cyclic phosphodiesterase 4A/cAMP-specific 3',5'-cyclic phosphodiesterase 4C/cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus-Mus musculus (Mouse))		BDBM50213340
PNG
(CHEMBL58915)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)-c1nc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C24H20N2O4/c1-29-21-9-7-16(23-25-19-8-6-17(24(27)28)12-20(19)26-23)13-22(21)30-18-10-14-4-2-3-5-15(14)11-18/h2-9,12-13,18H,10-11H2,1H3,(H,25,26)(H,27,28)
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TBA

Assay Description
Displacement of [3H]-Rolipram from mouse brain homogenates

Citation and Details

BindingDB Entry DOI: 10.7270/Q2P84F2C
More data for this
Ligand-Target Pair
Phosphodiesterase/cAMP-specific 3',5'-cyclic phosphodiesterase 4A/cAMP-specific 3',5'-cyclic phosphodiesterase 4C/cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus-Mus musculus (Mouse))		BDBM50213338
PNG
(CHEMBL294883)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1nc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C20H20N2O4/c1-25-17-9-7-12(11-18(17)26-14-4-2-3-5-14)19-21-15-8-6-13(20(23)24)10-16(15)22-19/h6-11,14H,2-5H2,1H3,(H,21,22)(H,23,24)
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TBA

Assay Description
Displacement of [3H]-Rolipram from mouse brain homogenates

Citation and Details

BindingDB Entry DOI: 10.7270/Q2P84F2C
More data for this
Ligand-Target Pair
Phosphodiesterase/cAMP-specific 3',5'-cyclic phosphodiesterase 4A/cAMP-specific 3',5'-cyclic phosphodiesterase 4C/cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus-Mus musculus (Mouse))		BDBM50213341
PNG
(CHEMBL59269)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)-c1nc2cc(ccc2[nH]1)C(O)=O |THB:8:9:15:13.12|
Show InChI InChI=1S/C22H22N2O4/c1-27-18-7-5-14(11-20(18)28-19-9-12-2-3-13(19)8-12)21-23-16-6-4-15(22(25)26)10-17(16)24-21/h4-7,10-13,19H,2-3,8-9H2,1H3,(H,23,24)(H,25,26)
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TBA

Assay Description
Displacement of [3H]-Rolipram from mouse brain homogenates

Citation and Details

BindingDB Entry DOI: 10.7270/Q2P84F2C
More data for this
Ligand-Target Pair
Phosphodiesterase/cAMP-specific 3',5'-cyclic phosphodiesterase 4A/cAMP-specific 3',5'-cyclic phosphodiesterase 4C/cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Mus musculus-Mus musculus (Mouse))		BDBM50213339
PNG
(CHEMBL291537)
Show SMILES COc1ccc(cc1OCCc1ccccc1)-c1nc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C23H20N2O4/c1-28-20-10-8-16(14-21(20)29-12-11-15-5-3-2-4-6-15)22-24-18-9-7-17(23(26)27)13-19(18)25-22/h2-10,13-14H,11-12H2,1H3,(H,24,25)(H,26,27)
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TBA

Assay Description
Displacement of [3H]-Rolipram from mouse brain homogenates

Citation and Details

BindingDB Entry DOI: 10.7270/Q2P84F2C
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608795
PNG
(US11701371, Compound 30 | US11707471, Compound 30 ...)
Show SMILES Nc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608796
PNG
(US11701371, Compound 38 | US11707471, Compound 38 ...)
Show SMILES COc1cc2ccnc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608798
PNG
(US11701371, Compound 60 | US11707471, Compound 60 ...)
Show SMILES COc1cc2ncnc(N3CCC(COP(O)(O)=O)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608800
PNG
(US11701371, Compound 67 | US11707471, Compound 67 ...)
Show SMILES COc1cc2ncnc(N3CCC(COP(O)(O)=S)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608802
PNG
(US11701371, Compound 70 | US11707471, Compound 70 ...)
Show SMILES OP(O)(=O)CCC1CCN(CC1)c1ncnc2cccc(F)c12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608803
PNG
(US11701371, Compound 71 | US11707471, Compound 71 ...)
Show SMILES COc1cc2nccc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608805
PNG
(US11701371, Compound 75 | US11707471, Compound 75 ...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)CP(O)(O)=O)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608806
PNG
(US11701371, Compound 76 | US11707471, Compound 76 ...)
Show SMILES COc1cccc2c(ncnc12)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608806
PNG
(US11701371, Compound 76 | US11707471, Compound 76 ...)
Show SMILES COc1cccc2c(ncnc12)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608807
PNG
(US11701371, Compound 81 | US11707471, Compound 81 ...)
Show SMILES COc1cc2ncnc([C@@H]3CC[C@H](CCP(O)(O)=O)CC3)c2cc1OC |r,wU:12.12,9.8,(-5.28,-5.55,;-4.1,-6.54,;-2.77,-5.78,;-1.44,-6.54,;-.1,-5.78,;1.23,-6.54,;2.56,-5.78,;2.56,-4.23,;1.23,-3.47,;1.23,-1.93,;2.56,-1.15,;2.56,.38,;1.23,1.15,;1.23,2.69,;2.56,3.47,;2.56,5,;4.1,5,;1.02,5,;2.56,6.54,;-.1,.38,;-.1,-1.15,;-.1,-4.23,;-1.44,-3.47,;-2.77,-4.23,;-4.1,-3.47,;-3.84,-1.95,)|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608808
PNG
(US11701371, Compound 82 | US11707471, Compound 82 ...)
Show SMILES COc1cc2ncnc([C@H]3CC[C@H](CCP(O)(O)=O)CC3)c2cc1OC |r,wU:9.8,wD:12.12,(-5.28,-5.55,;-4.1,-6.54,;-2.77,-5.78,;-1.44,-6.54,;-.1,-5.78,;1.23,-6.54,;2.56,-5.78,;2.56,-4.23,;1.23,-3.47,;1.23,-1.93,;-.1,-1.15,;-.1,.38,;1.23,1.15,;1.23,2.69,;2.56,3.47,;2.56,5,;4.1,5,;1.02,5,;2.56,6.54,;2.56,.38,;2.56,-1.15,;-.1,-4.23,;-1.44,-3.47,;-2.77,-4.23,;-4.1,-3.47,;-3.84,-1.95,)|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608809
PNG
(US11701371, Compound 83 | US11707471, Compound 83 ...)
Show SMILES COc1cc2ncnc(N3CCC(CCP(O)(O)=S)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608810
PNG
(US11701371, Compound 84 | US11707471, Compound 84 ...)
Show SMILES OP(O)(=O)CCC1CCN(CC1)c1ncnc2cc(Cl)ccc12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608811
PNG
(US11701371, Compound 86 | US11707471, Compound 86 ...)
Show SMILES COc1cccc2c(ncnc12)N1CCC(COP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608812
PNG
(US11701371, Compound 87 | US11707471, Compound 87 ...)
Show SMILES COc1cc2ncnc(N3CCC(CCB(O)O)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608813
PNG
(US11701371, Compound 88 | US11707471, Compound 88 ...)
Show SMILES COc1cc2ncnc(N3CCC(CP(O)(O)=O)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608814
PNG
(US11701371, Compound 93 | US11707471, Compound 93 ...)
Show SMILES Cc1nccn1-c1cc(ncn1)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608815
PNG
(US11701371, Compound 100 | US11707471, Compound 10...)
Show SMILES Cc1nccn1-c1cc(ncn1)N1CCN(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608782
PNG
(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Show SMILES COc1cc2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608782
PNG
(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Show SMILES COc1cc2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608783
PNG
(US11701371, Compound 5 | US11707471, Compound 5 | ...)
Show SMILES Oc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608784
PNG
(US11701371, Compound 7 | US11707471, Compound 7 | ...)
Show SMILES COc1cc(OC)c2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608785
PNG
(US11701371, Compound 10 | US11707471, Compound 10 ...)
Show SMILES COc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608785
PNG
(US11701371, Compound 10 | US11707471, Compound 10 ...)
Show SMILES COc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608787
PNG
(US11701371, Compound 12 | US11707471, Compound 12 ...)
Show SMILES COc1ccc2c(nc(C)nc2c1)N1CCC(CCP(O)(O)=O)CC1
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BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608790
PNG
(US11701371, Compound 18 | US11707471, Compound 18 ...)
Show SMILES COc1ccc2c(nc(\C=C\c3cccnc3)nc2c1)N1CCC(CCP(O)(O)=O)CC1
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n/an/a<500n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608790
PNG
(US11701371, Compound 18 | US11707471, Compound 18 ...)
Show SMILES COc1ccc2c(nc(\C=C\c3cccnc3)nc2c1)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608791
PNG
(US11701371, Compound 19 | US11707471, Compound 19 ...)
Show SMILES COc1ccc2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608792
PNG
(US11701371, Compound 22 | US11707471, Compound 22 ...)
Show SMILES COc1ccc2c(ncnc2c1OC)N1CCC(CCP(O)(O)=O)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Mouse)		BDBM608794
PNG
(US11701371, Compound 25 | US11707471, Compound 25 ...)
Show SMILES OP(O)(=O)CCC1CCN(CC1)c1ncnc2ccccc12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56PV6
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140174
PNG
(US8901315, 382)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:30.34,(-9.24,3.43,;-8.47,2.1,;-9.38,.85,;-8.47,-.39,;-8.87,-1.88,;-10.36,-2.28,;-10.76,-3.77,;-9.67,-4.85,;-8.18,-4.46,;-7.78,-2.97,;-7.01,.08,;-5.55,-.39,;-4.64,.85,;-5.55,2.1,;-7.01,1.62,;-3.1,.85,;-2.33,-.48,;-2.33,2.19,;-.79,2.19,;-.02,3.52,;1.52,3.52,;2.29,2.19,;1.52,.85,;-.02,.85,;3.83,2.19,;4.6,.85,;4.6,3.52,;6.14,3.52,;6.91,4.85,;8.45,4.85,;9.22,3.52,;10.76,3.52,;8.45,2.19,;6.91,2.19,)|
Show InChI InChI=1S/C25H31N5O3S/c1-15-20-13-22(34-25(20)30(29-15)18-5-3-2-4-6-18)24(33)28-17-9-12-21(26-14-17)23(32)27-16-7-10-19(31)11-8-16/h9,12-14,16,18-19,31H,2-8,10-11H2,1H3,(H,27,32)(H,28,33)/t16-,19-
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n/an/a 620n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140086
PNG
(US8901315, 165)
Show SMILES CNC1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1Cl
Show InChI InChI=1S/C25H32ClN5OS/c1-16-20-15-23(33-25(20)31(29-16)19-6-4-3-5-7-19)24(32)28-18-8-9-22(21(26)14-18)30-12-10-17(27-2)11-13-30/h8-9,14-15,17,19,27H,3-7,10-13H2,1-2H3,(H,28,32)
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n/an/a 650n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140173
PNG
(US8901315, 381)
Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
Show InChI InChI=1S/C23H30N6O2S/c1-15-18-13-20(32-23(18)29(27-15)17-7-5-4-6-8-17)22(31)26-16-9-10-19(25-14-16)21(30)24-11-12-28(2)3/h9-10,13-14,17H,4-8,11-12H2,1-3H3,(H,24,30)(H,26,31)
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n/an/a 670n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140099
PNG
(US8901315, 188)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCNCC1 |r,wU:18.20,wD:21.27,(-7.32,4.1,;-6.55,2.77,;-7.46,1.52,;-6.55,.27,;-6.95,-1.21,;-8.44,-1.61,;-8.83,-3.1,;-7.75,-4.19,;-6.26,-3.79,;-5.86,-2.3,;-5.09,.75,;-3.62,.27,;-2.72,1.52,;-3.62,2.77,;-5.09,2.29,;-1.18,1.52,;-.41,.19,;-.41,2.85,;1.13,2.85,;1.9,4.19,;3.44,4.19,;4.21,2.85,;3.44,1.52,;1.9,1.52,;5.75,2.85,;6.52,1.52,;8.06,1.52,;8.83,2.85,;8.06,4.19,;6.52,4.19,)|
Show InChI InChI=1S/C23H35N5OS/c1-16-20-15-21(30-23(20)28(26-16)19-5-3-2-4-6-19)22(29)25-17-7-9-18(10-8-17)27-13-11-24-12-14-27/h15,17-19,24H,2-14H2,1H3,(H,25,29)/t17-,18-
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n/an/a 700n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140079
PNG
(US8901315, 150)
Show SMILES COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)ccc1C(=O)NCCO
Show InChI InChI=1S/C23H28N4O4S/c1-14-18-13-20(32-23(18)27(26-14)16-6-4-3-5-7-16)22(30)25-15-8-9-17(19(12-15)31-2)21(29)24-10-11-28/h8-9,12-13,16,28H,3-7,10-11H2,1-2H3,(H,24,29)(H,25,30)
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n/an/a 700n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140095
PNG
(US8901315, 179)
Show SMILES CNC1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:11.15,wD:8.8,(9.99,4.19,;9.22,2.85,;7.68,2.85,;6.91,1.52,;5.37,1.52,;4.6,2.85,;5.37,4.19,;6.91,4.19,;3.06,2.85,;2.29,4.19,;.75,4.19,;-.02,2.85,;.75,1.52,;2.29,1.52,;-1.56,2.85,;-2.33,1.52,;-1.56,.19,;-3.87,1.52,;-4.78,2.77,;-6.24,2.29,;-7.7,2.77,;-8.47,4.1,;-8.61,1.52,;-7.7,.27,;-8.1,-1.21,;-9.59,-1.61,;-9.99,-3.1,;-8.9,-4.19,;-7.41,-3.79,;-7.01,-2.3,;-6.24,.75,;-4.78,.27,)|
Show InChI InChI=1S/C25H39N5OS/c1-17-22-16-23(32-25(22)30(28-17)21-6-4-3-5-7-21)24(31)27-19-8-10-20(11-9-19)29-14-12-18(26-2)13-15-29/h16,18-21,26H,3-15H2,1-2H3,(H,27,31)/t19-,20-
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n/an/a 750n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140128
PNG
(US8901315, 256)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)N1CCNC1=O
Show InChI InChI=1S/C21H24N6O2S/c1-13-16-11-17(30-20(16)27(25-13)15-5-3-2-4-6-15)19(28)24-14-7-8-18(23-12-14)26-10-9-22-21(26)29/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,22,29)(H,24,28)
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n/an/a 810n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140097
PNG
(US8901315, 181)
Show SMILES CN(C)C1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:12.16,wD:9.9,(9.99,4.19,;9.22,2.85,;9.99,1.52,;7.68,2.85,;6.91,1.52,;5.37,1.52,;4.6,2.85,;5.37,4.19,;6.91,4.19,;3.06,2.85,;2.29,4.19,;.75,4.19,;-.02,2.85,;.75,1.52,;2.29,1.52,;-1.56,2.85,;-2.33,1.52,;-1.56,.19,;-3.87,1.52,;-4.78,2.77,;-6.24,2.29,;-7.7,2.77,;-8.47,4.1,;-8.61,1.52,;-7.7,.27,;-8.1,-1.21,;-9.59,-1.61,;-9.99,-3.1,;-8.9,-4.19,;-7.41,-3.79,;-7.01,-2.3,;-6.24,.75,;-4.78,.27,)|
Show InChI InChI=1S/C26H41N5OS/c1-18-23-17-24(33-26(23)31(28-18)22-7-5-4-6-8-22)25(32)27-19-9-11-21(12-10-19)30-15-13-20(14-16-30)29(2)3/h17,19-22H,4-16H2,1-3H3,(H,27,32)/t19-,21-
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n/an/a 860n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140177
PNG
(US8901315, 396)
Show SMILES Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)S(C)(=O)=O |r,wU:18.20,wD:21.27,(-8.76,4.1,;-7.99,2.77,;-8.89,1.52,;-7.99,.27,;-8.39,-1.21,;-9.87,-1.61,;-10.27,-3.1,;-9.18,-4.19,;-7.69,-3.79,;-7.3,-2.3,;-6.52,.75,;-5.06,.27,;-4.15,1.52,;-5.06,2.77,;-6.52,2.29,;-2.61,1.52,;-1.84,.19,;-1.84,2.85,;-.3,2.85,;.47,4.19,;2.01,4.19,;2.78,2.85,;2.01,1.52,;.47,1.52,;4.32,2.85,;5.09,4.19,;6.63,4.19,;7.4,2.85,;6.63,1.52,;5.09,1.52,;8.94,2.85,;9.71,4.19,;8.17,1.52,;10.27,2.08,)|
Show InChI InChI=1S/C23H35N5O4S2/c1-16-20-15-21(33-23(20)28(25-16)19-7-13-32-14-8-19)22(29)24-17-3-5-18(6-4-17)26-9-11-27(12-10-26)34(2,30)31/h15,17-19H,3-14H2,1-2H3,(H,24,29)/t17-,18-
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n/an/a 900n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140085
PNG
(US8901315, 163)
Show SMILES CNC1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1F
Show InChI InChI=1S/C25H32FN5OS/c1-16-20-15-23(33-25(20)31(29-16)19-6-4-3-5-7-19)24(32)28-18-8-9-22(21(26)14-18)30-12-10-17(27-2)11-13-30/h8-9,14-15,17,19,27H,3-7,10-13H2,1-2H3,(H,28,32)
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n/an/a 900n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140169
PNG
(US8901315, 375)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(N2CCC(O)CC2)c(c1)C(O)=O
Show InChI InChI=1S/C25H30N4O4S/c1-15-19-14-22(34-24(19)29(27-15)17-5-3-2-4-6-17)23(31)26-16-7-8-21(20(13-16)25(32)33)28-11-9-18(30)10-12-28/h7-8,13-14,17-18,30H,2-6,9-12H2,1H3,(H,26,31)(H,32,33)
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n/an/a 930n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140101
PNG
(US8901315, 191)
Show SMILES CN1CCCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1F
Show InChI InChI=1S/C25H32FN5OS/c1-17-20-16-23(33-25(20)31(28-17)19-7-4-3-5-8-19)24(32)27-18-9-10-22(21(26)15-18)30-12-6-11-29(2)13-14-30/h9-10,15-16,19H,3-8,11-14H2,1-2H3,(H,27,32)
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n/an/a 980n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140065
PNG
(US8901315, 109)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
Show InChI InChI=1S/C23H30N6OS/c1-16-19-14-20(31-23(19)29(26-16)18-6-4-3-5-7-18)22(30)25-17-8-9-21(24-15-17)28-12-10-27(2)11-13-28/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,25,30)
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n/an/a 1.00E+3n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase


(Mus musculus (Mouse))		BDBM140051
PNG
(US8901315, 73)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
Show InChI InChI=1S/C25H31N5O2S/c1-17-22-16-23(33-25(22)30(27-17)21-6-4-3-5-7-21)24(32)26-19-8-10-20(11-9-19)29-14-12-28(13-15-29)18(2)31/h8-11,16,21H,3-7,12-15H2,1-2H3,(H,26,32)
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n/an/a 1.00E+3n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...

US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
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