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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 6216   
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 7


(Homo sapiens (Human))
BDBM116309
PNG
(US8637528, OM69)
Show SMILES COc1cc(N)ccc1-c1cc2c(C(N=[N+]2C)C2CCCCC2)c(=O)[nH]1
Show InChI InChI=1S/C20H24N4O2/c1-24-16-11-15(14-9-8-13(21)10-17(14)26-2)22-20(25)18(16)19(23-24)12-6-4-3-5-7-12/h8-12,19H,3-7H2,1-2H3,(H2-,21,22,25)/p+1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM116309
PNG
(US8637528, OM69)
Show SMILES COc1cc(N)ccc1-c1cc2c(C(N=[N+]2C)C2CCCCC2)c(=O)[nH]1
Show InChI InChI=1S/C20H24N4O2/c1-24-16-11-15(14-9-8-13(21)10-17(14)26-2)22-20(25)18(16)19(23-24)12-6-4-3-5-7-12/h8-12,19H,3-7H2,1-2H3,(H2-,21,22,25)/p+1
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PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM116310
PNG
(US8637528, OM056)
Show SMILES COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C19H23N5O2/c1-11-16-17(24(23-11)13-6-4-3-5-7-13)19(25)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13H,3-7,20H2,1-2H3,(H,21,22,25)
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US Patent
n/an/a 5.67n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM116310
PNG
(US8637528, OM056)
Show SMILES COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C19H23N5O2/c1-11-16-17(24(23-11)13-6-4-3-5-7-13)19(25)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13H,3-7,20H2,1-2H3,(H,21,22,25)
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n/an/a 9.27n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM116311
PNG
(US8637528, OM955)
Show SMILES CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C16H21ClN2O2/c1-2-10-21-12-7-6-11(17)14-13(12)16(19-15(20)18-14)8-4-3-5-9-16/h6-7H,2-5,8-10H2,1H3,(H2,18,19,20)
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Similars

US Patent
n/an/a 51.8n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM116311
PNG
(US8637528, OM955)
Show SMILES CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C16H21ClN2O2/c1-2-10-21-12-7-6-11(17)14-13(12)16(19-15(20)18-14)8-4-3-5-9-16/h6-7H,2-5,8-10H2,1H3,(H2,18,19,20)
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US Patent
n/an/a 106n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50151526
PNG
(CHEMBL363097 | N-(4-{5-[(Z)-Cyclohexylimino]-4-met...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
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PC sid
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US Patent
n/an/a 140n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50151526
PNG
(CHEMBL363097 | N-(4-{5-[(Z)-Cyclohexylimino]-4-met...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
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US Patent
n/an/a 144n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair