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Compile Data Set for Download or QSAR

Found 7 hits from BASILEA PHARMACEUTICA AG   
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
Phosphodiesterase 4 (PDE4)


(Homo sapiens (Human))
BDBM336125
PNG
(US9738676, Comparative Compound A)
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)[C@H]2[C@H](SCCOc3cc(ccc3CO)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C51H72Cl2N4O15S/c1-11-37-51(8)38(43(47(64)72-51)73-19-18-68-36-21-31(12-13-32(36)25-58)45(62)55-39-33(52)23-54-24-34(39)53)28(4)40(59)26(2)22-50(7,66-10)44(29(5)41(60)30(6)46(63)70-37)71-48-42(61)35(20-27(3)69-48)56(9)49(65)57-14-16-67-17-15-57/h12-13,21,23-24,26-30,35,37-38,41-44,48,58,60-61H,11,14-20,22,25H2,1-10H3,(H,54,55,62)/t26-,27-,28-,29+,30-,35+,37-,38+,41+,42-,43+,44-,48+,50-,51-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...


US Patent US9738676 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Homo sapiens (Human))
BDBM336122
PNG
(US9738676, WS2009/106419, Expl. 10)
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(C)=O)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCN(Cc3c(Cl)cncc3Cl)c3ccc(CO)c(OC4CCCC4)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C61H91Cl2N3O16S/c1-15-47-61(11)49(53(57(73)82-61)83-23-22-66(30-42-43(62)28-64-29-44(42)63)40-21-20-39(31-67)46(25-40)78-41-18-16-17-19-41)34(4)50(69)32(2)26-60(10,75-14)55(81-58-51(70)45(24-33(3)76-58)65(12)38(8)68)35(5)52(36(6)56(72)79-47)80-48-27-59(9,74-13)54(71)37(7)77-48/h20-21,25,28-29,32-37,41,45,47-49,51-55,58,67,70-71H,15-19,22-24,26-27,30-31H2,1-14H3/t32-,33-,34-,35+,36-,37+,45+,47-,48+,49+,51-,52+,53+,54+,55-,58+,59-,60-,61-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...


US Patent US9738676 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Homo sapiens (Human))
BDBM336127
PNG
(US9738676, Compound of Formula (I-A) according to ...)
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)[C@H]2[C@H](SCCN(Cc3c(Cl)cncc3Cl)c3ccc(CO)c(OC4CCCC4)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C56H82Cl2N4O14S/c1-11-44-56(8)45(49(52(68)76-56)77-23-20-62(29-39-40(57)27-59-28-41(39)58)37-17-16-36(30-63)43(25-37)73-38-14-12-13-15-38)33(4)46(64)31(2)26-55(7,70-10)50(34(5)47(65)35(6)51(67)74-44)75-53-48(66)42(24-32(3)72-53)60(9)54(69)61-18-21-71-22-19-61/h16-17,25,27-28,31-35,38,42,44-45,47-50,53,63,65-66H,11-15,18-24,26,29-30H2,1-10H3/t31-,32-,33-,34+,35-,42+,44-,45+,47+,48-,49+,50-,53+,55-,56-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...


US Patent US9738676 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Homo sapiens (Human))
BDBM336126
PNG
(US9738676, Comparative Compound B)
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]2[C@H](SCCN(Cc3c(Cl)cncc3Cl)c3ccc(CO)c(OC4CCCC4)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C64H96Cl2N4O17S/c1-14-49-64(10)51(55(59(76)87-64)88-26-23-70(33-44-45(65)31-67-32-46(44)66)42-20-19-41(34-71)48(28-42)83-43-17-15-16-18-43)37(4)52(72)35(2)29-63(9,79-13)57(86-60-53(73)47(27-36(3)81-60)68(11)61(77)69-21-24-80-25-22-69)38(5)54(39(6)58(75)84-49)85-50-30-62(8,78-12)56(74)40(7)82-50/h19-20,28,31-32,35-40,43,47,49-51,53-57,60,71,73-74H,14-18,21-27,29-30,33-34H2,1-13H3/t35-,36-,37-,38+,39-,40+,47+,49-,50+,51+,53-,54+,55+,56+,57-,60+,62-,63-,64-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 43n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...


US Patent US9738676 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Homo sapiens (Human))
BDBM336123
PNG
(US9738676, WS2009/106419, Expl. 15)
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]2[C@H](SCCOc3cc(ccc3CO)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C59H86Cl2N4O18S/c1-14-42-59(10)44(49(54(72)83-59)84-22-21-77-41-24-36(15-16-37(41)29-66)52(70)63-45-38(60)27-62-28-39(45)61)32(4)46(67)30(2)25-58(9,75-13)51(82-55-47(68)40(23-31(3)78-55)64(11)56(73)65-17-19-76-20-18-65)33(5)48(34(6)53(71)80-42)81-43-26-57(8,74-12)50(69)35(7)79-43/h15-16,24,27-28,30-35,40,42-44,47-51,55,66,68-69H,14,17-23,25-26,29H2,1-13H3,(H,62,63,70)/t30-,31-,32-,33+,34-,35+,40+,42-,43+,44+,47-,48+,49+,50+,51-,55+,57-,58-,59-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 71n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...


US Patent US9738676 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Homo sapiens (Human))
BDBM336121
PNG
(US9738676, WS2009/106419, Expl. 9)
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]2OC)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C53H79Cl2N3O12S/c1-14-42-53(8)43(47(50(62)70-53)71-22-21-58(28-36-37(54)26-56-27-38(36)55)34-19-20-40(63-11)41(24-34)67-35-17-15-16-18-35)31(4)44(59)29(2)25-52(7,65-13)48(32(5)45(60)33(6)49(61)68-42)69-51-46(64-12)39(57(9)10)23-30(3)66-51/h19-20,24,26-27,29-33,35,39,42-43,45-48,51,60H,14-18,21-23,25,28H2,1-13H3/t29-,30-,31-,32+,33-,39+,42-,43+,45+,46-,47+,48-,51+,52-,53-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...


US Patent US9738676 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Homo sapiens (Human))
BDBM136699
PNG
(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
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
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 876n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...


US Patent US9738676 (2017)

More data for this
Ligand-Target Pair