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Patent code US9499570

Compile Data Set for Download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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 4B


(Homo sapiens (Human))
BDBM120866
PNG
(US8716478, D253 | US9499570, D253)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)c(cc1Cl)C#N
Show InChI InChI=1S/C18H16BClN2O5/c1-11(23)3-2-6-25-18-16(20)8-12(9-21)17(22-18)27-14-4-5-15-13(7-14)10-26-19(15)24/h4-5,7-8,24H,2-3,6,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.25n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120845
PNG
(US8716478, D231 | US9499570, D231)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)c(Cl)cc1C#N
Show InChI InChI=1S/C18H16BClN2O5/c1-11(23)3-2-6-25-17-12(9-21)8-16(20)18(22-17)27-14-4-5-15-13(7-14)10-26-19(15)24/h4-5,7-8,24H,2-3,6,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
n/an/a 0.800n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120855
PNG
(US8716478, D241 | US9499570, D241)
Show SMILES CC(C)OCCOc1nc(Oc2ccc3B(O)OCc3c2)cc(c1C#N)C(F)(F)F
Show InChI InChI=1S/C19H18BF3N2O5/c1-11(2)27-5-6-28-18-14(9-24)15(19(21,22)23)8-17(25-18)30-13-3-4-16-12(7-13)10-29-20(16)26/h3-4,7-8,11,26H,5-6,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.10n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120860
PNG
(US8716478, D246 | US9499570, D246)
Show SMILES CC(=O)CCCOc1nc(Oc2cc3COB(O)c3c(C)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C19H18BClN2O5/c1-11-6-15(7-14-10-27-20(25)17(11)14)28-19-16(21)8-13(9-22)18(23-19)26-5-3-4-12(2)24/h6-8,25H,3-5,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120853
PNG
(US8716478, D239 | US9499570, D239)
Show SMILES OB1OCc2cc(Oc3nc(OCCOC4CC4)c(cc3Cl)C#N)ccc12
Show InChI InChI=1S/C18H16BClN2O5/c20-16-8-11(9-21)17(25-6-5-24-13-1-2-13)22-18(16)27-14-3-4-15-12(7-14)10-26-19(15)23/h3-4,7-8,13,23H,1-2,5-6,10H2
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
n/an/a 1.30n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120862
PNG
(US8716478, D248 | US9499570, D248)
Show SMILES CC(=O)CCCOc1nc(Oc2cc3COB(O)c3c(F)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C18H15BClFN2O5/c1-10(24)3-2-4-26-17-11(8-22)6-14(20)18(23-17)28-13-5-12-9-27-19(25)16(12)15(21)7-13/h5-7,25H,2-4,9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
n/an/a 1.70n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120859
PNG
(US8716478, D245 | US9499570, D245)
Show SMILES CC(C)OCCOc1nc(Oc2cc3COB(O)c3c(C)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C19H20BClN2O5/c1-11(2)25-4-5-26-18-13(9-22)8-16(21)19(23-18)28-15-6-12(3)17-14(7-15)10-27-20(17)24/h6-8,11,24H,4-5,10H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120856
PNG
(US8716478, D242 | US9499570, D242)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)cc(c1C#N)C(F)(F)F
Show InChI InChI=1S/C19H16BF3N2O5/c1-11(26)3-2-6-28-18-14(9-24)15(19(21,22)23)8-17(25-18)30-13-4-5-16-12(7-13)10-29-20(16)27/h4-5,7-8,27H,2-3,6,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
n/an/a 2.20n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM255615
PNG
(US9499570, D141)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)ccc1C#N
Show InChI InChI=1S/C18H17BN2O5/c1-12(22)3-2-8-24-18-13(10-20)4-7-17(21-18)26-15-5-6-16-14(9-15)11-25-19(16)23/h4-7,9,23H,2-3,8,11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120844
PNG
(US8716478, D230 | US8716478, D238 | US9499570, D23...)
Show SMILES CC(C)OCCOc1nc(Oc2ccc3B(O)OCc3c2)c(Cl)cc1C#N
Show InChI InChI=1S/C18H18BClN2O5/c1-11(2)24-5-6-25-17-12(9-21)8-16(20)18(22-17)27-14-3-4-15-13(7-14)10-26-19(15)23/h3-4,7-8,11,23H,5-6,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.20n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120857
PNG
(US8716478, D243 | US9499570, D243)
Show SMILES CC(C)OCCOc1nc(Oc2ccc3B(O)OCc3c2)c(cc1C#N)C#N
Show InChI InChI=1S/C19H18BN3O5/c1-12(2)25-5-6-26-18-13(9-21)7-14(10-22)19(23-18)28-16-3-4-17-15(8-16)11-27-20(17)24/h3-4,7-8,12,24H,5-6,11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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US Patent
n/an/a 6.5n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM255614
PNG
(US9499570, D140)
Show SMILES CC(C)OCCOc1nc(Oc2ccc3B(O)OCc3c2)ccc1C#N
Show InChI InChI=1S/C18H19BN2O5/c1-12(2)23-7-8-24-18-13(10-20)3-6-17(21-18)26-15-4-5-16-14(9-15)11-25-19(16)22/h3-6,9,12,22H,7-8,11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120861
PNG
(US8716478, D247 | US9499570, D247)
Show SMILES CC(C)OCCOc1nc(Oc2cc3COB(O)c3c(F)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C18H17BClFN2O5/c1-10(2)25-3-4-26-17-11(8-22)6-14(20)18(23-17)28-13-5-12-9-27-19(24)16(12)15(21)7-13/h5-7,10,24H,3-4,9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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US Patent
n/an/a 19n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120846
PNG
(US8716478, D232 | US9499570, D232)
Show SMILES COCC(COc1nc(Oc2ccc3B(O)OCc3c2)c(Cl)cc1C#N)OC
Show InChI InChI=1S/C18H18BClN2O6/c1-24-9-14(25-2)10-26-17-11(7-21)6-16(20)18(22-17)28-13-3-4-15-12(5-13)8-27-19(15)23/h3-6,14,23H,8-10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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US Patent
n/an/a 23n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%