Found 5 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM136701
(US8865662, 4)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)N2CCOCC2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)C2N(CCCOc3cc(ccc3OC)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC |r| Show InChI InChI=1S/C51H73Cl2N5O15/c1-12-38-51(8)43(58(49(65)73-51)16-13-19-69-37-23-32(14-15-36(37)66-10)45(62)55-39-33(52)25-54-26-34(39)53)29(4)40(59)27(2)24-50(7,67-11)44(30(5)41(60)31(6)46(63)71-38)72-47-42(61)35(22-28(3)70-47)56(9)48(64)57-17-20-68-21-18-57/h14-15,23,25-31,35,38,41-44,47,60-61H,12-13,16-22,24H2,1-11H3,(H,54,55,62)/t27-,28-,29+,30+,31-,35+,38-,41+,42-,43?,44-,47+,50-,51-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Basilea Pharmaceutica AG
US Patent
| Assay Description
PDE4 specifically hydrolyzes cAMP and releases the product AMP. The potency of PDE inhibition by said agents is determined in an in vitro enzymatic a... |
US Patent US8865662 (2014)
BindingDB Entry DOI: 10.7270/Q22R3QCK |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM136700
(US8865662, 5)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)CN2CCOCC2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)CN(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)C2N(CCCOc3cc(ccc3OC)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC |r| Show InChI InChI=1S/C56H82Cl2N6O16/c1-14-42-56(8)49(64(54(71)80-56)18-15-21-75-41-25-36(16-17-40(41)72-12)51(69)60-45-37(57)27-59-28-38(45)58)33(4)46(67)31(2)26-55(7,73-13)50(79-53-47(68)39(24-32(3)76-53)62(11)43(65)29-61(9)10)34(5)48(35(6)52(70)77-42)78-44(66)30-63-19-22-74-23-20-63/h16-17,25,27-28,31-35,39,42,47-50,53,68H,14-15,18-24,26,29-30H2,1-13H3,(H,59,60,69)/t31-,32-,33+,34+,35-,39+,42-,47-,48+,49?,50-,53+,55-,56-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Basilea Pharmaceutica AG
US Patent
| Assay Description
PDE4 specifically hydrolyzes cAMP and releases the product AMP. The potency of PDE inhibition by said agents is determined in an in vitro enzymatic a... |
US Patent US8865662 (2014)
BindingDB Entry DOI: 10.7270/Q22R3QCK |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM136697
(US8865662, 1)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)N2CCOCC2)[C@@](C)(CCC[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@]12C)OC |r| Show InChI InChI=1S/C66H101Cl2N5O17/c1-15-52-66(10)57(73(63(79)90-66)27-19-26-72(37-46-47(67)35-69-36-48(46)68)44-23-24-50(80-12)51(33-44)86-45-21-16-17-22-45)40(4)54(74)38(2)20-18-25-64(8,81-13)59(89-61-55(75)49(32-39(3)84-61)70(11)62(78)71-28-30-83-31-29-71)41(5)56(42(6)60(77)87-52)88-53-34-65(9,82-14)58(76)43(7)85-53/h23-24,33,35-36,38-43,45,49,52-53,55-59,61,75-76H,15-22,25-32,34,37H2,1-14H3/t38-,39-,40+,41+,42-,43+,49+,52-,53+,55-,56+,57-,58+,59-,61+,64-,65-,66-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Basilea Pharmaceutica AG
US Patent
| Assay Description
PDE4 specifically hydrolyzes cAMP and releases the product AMP. The potency of PDE inhibition by said agents is determined in an in vitro enzymatic a... |
US Patent US8865662 (2014)
BindingDB Entry DOI: 10.7270/Q22R3QCK |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM136699
(US8865662, 3 | US9738676, WS2011/018510, Expl. 2)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)N2CCOCC2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCOc3cc(ccc3OC)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC |r| Show InChI InChI=1S/C59H87Cl2N5O18/c1-15-43-59(10)49(66(56(73)84-59)19-16-22-78-42-26-37(17-18-41(42)74-12)52(70)63-45-38(60)29-62-30-39(45)61)33(4)46(67)31(2)27-58(9,76-14)51(83-54-47(68)40(25-32(3)79-54)64(11)55(72)65-20-23-77-24-21-65)34(5)48(35(6)53(71)81-43)82-44-28-57(8,75-13)50(69)36(7)80-44/h17-18,26,29-36,40,43-44,47-51,54,68-69H,15-16,19-25,27-28H2,1-14H3,(H,62,63,70)/t31-,32-,33+,34+,35-,36+,40+,43-,44+,47-,48+,49-,50+,51-,54+,57-,58-,59-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Basilea Pharmaceutica AG
US Patent
| Assay Description
PDE4 specifically hydrolyzes cAMP and releases the product AMP. The potency of PDE inhibition by said agents is determined in an in vitro enzymatic a... |
US Patent US8865662 (2014)
BindingDB Entry DOI: 10.7270/Q22R3QCK |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM136698
(US8865662, 2)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)N2CCOCC2)[C@@](C)(CCC[C@@H](C)C(=O)[C@H](C)C2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@]12C)OC |r| Show InChI InChI=1S/C58H87Cl2N5O14/c1-12-47-58(8)51(65(56(71)79-58)24-16-23-64(33-41-42(59)31-61-32-43(41)60)39-20-21-45(72-10)46(30-39)76-40-18-13-14-19-40)36(4)48(66)34(2)17-15-22-57(7,73-11)52(37(5)49(67)38(6)53(69)77-47)78-54-50(68)44(29-35(3)75-54)62(9)55(70)63-25-27-74-28-26-63/h20-21,30-32,34-38,40,44,47,49-52,54,67-68H,12-19,22-29,33H2,1-11H3/t34-,35-,36+,37+,38-,44+,47-,49+,50-,51?,52-,54+,57-,58-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Basilea Pharmaceutica AG
US Patent
| Assay Description
PDE4 specifically hydrolyzes cAMP and releases the product AMP. The potency of PDE inhibition by said agents is determined in an in vitro enzymatic a... |
US Patent US8865662 (2014)
BindingDB Entry DOI: 10.7270/Q22R3QCK |
More data for this
Ligand-Target Pair | |
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