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Compile Data Set for Download or QSAR

Found 5 hits of kd data for polymerid = 50006512,5066   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50005092
PNG
(CHEMBL1915520)
Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(I)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H27IN4O4S/c1-4-12-29-17-7-6-14(30(27,28)25-10-8-24(3)9-11-25)13-15(17)19-22-16(5-2)18(21)20(26)23-19/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23,26)
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n/an/an/a 150n/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE5 catalytic domain (unknown origin) by ITC analysis


J Med Chem 57: 3588-93 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50005060
PNG
(CHEMBL1915519)
Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(Br)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H27BrN4O4S/c1-4-12-29-17-7-6-14(30(27,28)25-10-8-24(3)9-11-25)13-15(17)19-22-16(5-2)18(21)20(26)23-19/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23,26)
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n/an/an/a 420n/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE5 catalytic domain (unknown origin) by ITC analysis


J Med Chem 57: 3588-93 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50005042
PNG
(CHEMBL1915518)
Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(Cl)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H27ClN4O4S/c1-4-12-29-17-7-6-14(30(27,28)25-10-8-24(3)9-11-25)13-15(17)19-22-16(5-2)18(21)20(26)23-19/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23,26)
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n/an/an/a 770n/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE5 catalytic domain (unknown origin) by ITC analysis


J Med Chem 57: 3588-93 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50005032
PNG
(CHEMBL1915516)
Show SMILES CCCOc1ccc(cc1-c1nc(CC)cc(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H28N4O4S/c1-4-12-28-18-7-6-16(29(26,27)24-10-8-23(3)9-11-24)14-17(18)20-21-15(5-2)13-19(25)22-20/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,21,22,25)
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n/an/an/a 1.50E+3n/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE5 catalytic domain (unknown origin) by ITC analysis


J Med Chem 57: 3588-93 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50005033
PNG
(CHEMBL1915517)
Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(F)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H27FN4O4S/c1-4-12-29-17-7-6-14(30(27,28)25-10-8-24(3)9-11-25)13-15(17)19-22-16(5-2)18(21)20(26)23-19/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23,26)
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n/an/an/a 1.70E+3n/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE5 catalytic domain (unknown origin) by ITC analysis


J Med Chem 57: 3588-93 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)