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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'omura' and Initial = 'a'   
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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375611
PNG
(CHEMBL408120)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C53H81FN6O16/c1-28(2)47(74-45(66)26-41(63)46(52(70)71)34(8)51(68)69)49(72-10)42(64)25-40(62)33(7)39(61)16-12-31(5)48-32(6)19-21-53(76-48)20-18-30(4)43(75-53)17-13-29(3)35(9)59-73-27-44(65)56-22-11-23-57-50(67)36-14-15-37(54)38(24-36)58-60-55/h14-15,24,28-33,39,41-43,47-49,61,63-64H,11-13,16-23,25-27H2,1-10H3,(H,56,65)(H,57,67)(H,68,69)(H,70,71)/b46-34-,59-35+/t29-,30+,31+,32-,33-,39-,41+,42+,43-,47+,48-,49-,53+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375608
PNG
(CHEMBL406220)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C41H68O14/c1-21(2)36(53-34(47)20-31(45)35(40(50)51)27(8)39(48)49)38(52-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(55-37)17-15-23(4)33(54-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3,(H,48,49)(H,50,51)/b35-27-/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375616
PNG
(CHEMBL405248)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)Nc3cccc(c3)C(=O)c3ccccc3)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C56H80N2O16/c1-31(2)51(72-48(64)29-44(61)49(55(68)69)37(8)54(66)67)53(70-10)45(62)28-43(60)36(7)42(59)21-19-34(5)52-35(6)24-26-56(74-52)25-23-33(4)46(73-56)22-20-32(3)38(9)58-71-30-47(63)57-41-18-14-17-40(27-41)50(65)39-15-12-11-13-16-39/h11-18,27,31-36,42,44-46,51-53,59,61-62H,19-26,28-30H2,1-10H3,(H,57,63)(H,66,67)(H,68,69)/b49-37-,58-38+/t32-,33+,34+,35-,36-,42-,44+,45+,46-,51+,52-,53-,56+/m0/s1
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8n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375613
PNG
(CHEMBL261577)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C52H79FN6O16/c1-27(2)46(73-44(65)25-40(62)45(51(69)70)33(8)50(67)68)48(71-10)41(63)24-39(61)32(7)38(60)15-11-30(5)47-31(6)18-20-52(75-47)19-17-29(4)42(74-52)16-12-28(3)34(9)58-72-26-43(64)55-21-22-56-49(66)35-13-14-36(53)37(23-35)57-59-54/h13-14,23,27-32,38,40-42,46-48,60,62-63H,11-12,15-22,24-26H2,1-10H3,(H,55,64)(H,56,66)(H,67,68)(H,69,70)/b45-33-,58-34-/t28-,29+,30+,31-,32-,38-,40+,41+,42-,46+,47-,48-,52+/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375612
PNG
(CHEMBL427915)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C52H79FN6O16/c1-27(2)46(73-44(65)25-40(62)45(51(69)70)33(8)50(67)68)48(71-10)41(63)24-39(61)32(7)38(60)15-11-30(5)47-31(6)18-20-52(75-47)19-17-29(4)42(74-52)16-12-28(3)34(9)58-72-26-43(64)55-21-22-56-49(66)35-13-14-36(53)37(23-35)57-59-54/h13-14,23,27-32,38,40-42,46-48,60,62-63H,11-12,15-22,24-26H2,1-10H3,(H,55,64)(H,56,66)(H,67,68)(H,69,70)/b45-33-,58-34+/t28-,29+,30+,31-,32-,38-,40+,41+,42-,46+,47-,48-,52+/m0/s1
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17.3n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375609
PNG
(CHEMBL406283)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCSSCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C54H83FN6O16S2/c1-29(2)48(75-46(67)27-42(64)47(53(71)72)35(8)52(69)70)50(73-10)43(65)26-41(63)34(7)40(62)15-11-32(5)49-33(6)18-20-54(77-49)19-17-31(4)44(76-54)16-12-30(3)36(9)60-74-28-45(66)57-21-23-78-79-24-22-58-51(68)37-13-14-38(55)39(25-37)59-61-56/h13-14,25,29-34,40,42-44,48-50,62,64-65H,11-12,15-24,26-28H2,1-10H3,(H,57,66)(H,58,68)(H,69,70)(H,71,72)/b47-35-,60-36+/t30-,31+,32+,33-,34-,40-,42+,43+,44-,48+,49-,50-,54+/m0/s1
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19.6n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375614
PNG
(CHEMBL259235)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCNC(=O)c3ccc(cc3OC)C3(N=N3)C(F)(F)F)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C55H82F3N5O17/c1-28(2)47(78-45(69)26-40(66)46(52(73)74)34(8)51(71)72)49(76-11)41(67)25-39(65)33(7)38(64)16-12-31(5)48-32(6)19-21-53(80-48)20-18-30(4)42(79-53)17-13-29(3)35(9)61-77-27-44(68)59-22-23-60-50(70)37-15-14-36(24-43(37)75-10)54(62-63-54)55(56,57)58/h14-15,24,28-33,38,40-42,47-49,64,66-67H,12-13,16-23,25-27H2,1-11H3,(H,59,68)(H,60,70)(H,71,72)(H,73,74)/b46-34-,61-35+/t29-,30+,31+,32-,33-,38-,40+,41+,42-,47+,48-,49-,53+/m0/s1
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21.3n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375610
PNG
(CHEMBL436904)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCSSCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C54H83FN6O16S2/c1-29(2)48(75-46(67)27-42(64)47(53(71)72)35(8)52(69)70)50(73-10)43(65)26-41(63)34(7)40(62)15-11-32(5)49-33(6)18-20-54(77-49)19-17-31(4)44(76-54)16-12-30(3)36(9)60-74-28-45(66)57-21-23-78-79-24-22-58-51(68)37-13-14-38(55)39(25-37)59-61-56/h13-14,25,29-34,40,42-44,48-50,62,64-65H,11-12,15-24,26-28H2,1-10H3,(H,57,66)(H,58,68)(H,69,70)(H,71,72)/b47-35-,60-36-/t30-,31+,32+,33-,34-,40-,42+,43+,44-,48+,49-,50-,54+/m0/s1
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23.9n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375617
PNG
(CHEMBL261094)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)Nc3cccc(c3)C(=O)c3ccccc3)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C56H80N2O16/c1-31(2)51(72-48(64)29-44(61)49(55(68)69)37(8)54(66)67)53(70-10)45(62)28-43(60)36(7)42(59)21-19-34(5)52-35(6)24-26-56(74-52)25-23-33(4)46(73-56)22-20-32(3)38(9)58-71-30-47(63)57-41-18-14-17-40(27-41)50(65)39-15-12-11-13-16-39/h11-18,27,31-36,42,44-46,51-53,59,61-62H,19-26,28-30H2,1-10H3,(H,57,63)(H,66,67)(H,68,69)/b49-37-,58-38-/t32-,33+,34+,35-,36-,42-,44+,45+,46-,51+,52-,53-,56+/m0/s1
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32.5n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375615
PNG
(CHEMBL261583)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCNC(=O)c3ccc(cc3OC)C3(N=N3)C(F)(F)F)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C55H82F3N5O17/c1-28(2)47(78-45(69)26-40(66)46(52(73)74)34(8)51(71)72)49(76-11)41(67)25-39(65)33(7)38(64)16-12-31(5)48-32(6)19-21-53(80-48)20-18-30(4)42(79-53)17-13-29(3)35(9)61-77-27-44(68)59-22-23-60-50(70)37-15-14-36(24-43(37)75-10)54(62-63-54)55(56,57)58/h14-15,24,28-33,38,40-42,47-49,64,66-67H,12-13,16-23,25-27H2,1-11H3,(H,59,68)(H,60,70)(H,71,72)(H,73,74)/b46-34-,61-35-/t29-,30+,31+,32-,33-,38-,40+,41+,42-,47+,48-,49-,53+/m0/s1
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49.7n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346122
PNG
(2-(4-(2-(4-bromo-5-methylthiophen-2-yl)-5-ethyl-6-...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1cc(Br)c(C)s1
Show InChI InChI=1S/C20H20BrN3O2S/c1-4-15-11(2)22-20(17-10-16(21)12(3)27-17)24-19(15)23-14-7-5-13(6-8-14)9-18(25)26/h5-8,10H,4,9H2,1-3H3,(H,25,26)(H,22,23,24)
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n/an/a 6.80n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220714
PNG
(CHEMBL237751 | N-((1s,4s)-4-hydroxy-4-(5-hydroxypy...)
Show SMILES Oc1ccc(nc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-17-7-8-18(21-14-17)20(25)12-10-16(11-13-20)22-19(24)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,16,23,25H,6,9-13H2,(H,22,24)/t16-,20+
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220726
PNG
(CHEMBL237533 | N-((1s,4s)-4-(3-fluoro-4-hydroxyphe...)
Show SMILES Oc1ccc(cc1F)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H24FNO3/c22-18-14-16(7-8-19(18)24)21(26)12-10-17(11-13-21)23-20(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,17,24,26H,6,9-13H2,(H,23,25)/t17-,21+
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346123
PNG
(2-(4-(5-ethyl-2-(5-fluorothiophen-2-yl)-6-methylpy...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1F)-c1ccc(F)s1
Show InChI InChI=1S/C19H17F2N3O2S/c1-3-12-10(2)22-19(15-6-7-16(21)27-15)24-18(12)23-14-5-4-11(8-13(14)20)9-17(25)26/h4-8H,3,9H2,1-2H3,(H,25,26)(H,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346121
PNG
(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1
Show InChI InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)
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n/an/a 15n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346120
PNG
(2-(4-(2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyr...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Br)s1
Show InChI InChI=1S/C19H18BrN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)
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n/an/a 19n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220729
PNG
(CHEMBL237320 | N-((1s,4s)-4-hydroxy-4-(4-hydroxyph...)
Show SMILES Oc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H25NO3/c23-19-9-7-17(8-10-19)21(25)14-12-18(13-15-21)22-20(24)11-6-16-4-2-1-3-5-16/h1-5,7-10,18,23,25H,6,11-15H2,(H,22,24)/t18-,21+
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220712
PNG
(CHEMBL395904 | N-((1s,4s)-4-hydroxy-4-(4-hydroxy-2...)
Show SMILES Cc1cc(O)ccc1[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-16-15-19(24)8-9-20(16)22(26)13-11-18(12-14-22)23-21(25)10-7-17-5-3-2-4-6-17/h2-6,8-9,15,18,24,26H,7,10-14H2,1H3,(H,23,25)/t18-,22+
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
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n/an/a 27n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220716
PNG
(CHEMBL236893 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H25NO2/c23-20-13-9-18(10-14-20)17-7-11-19(12-8-17)22-21(24)15-6-16-4-2-1-3-5-16/h1-5,9-10,13-14,17,19,23H,6-8,11-12,15H2,(H,22,24)/t17-,19-
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346119
PNG
(2-(4-(5-ethyl-6-methyl-2-(5-(methylthio)thiophen-2...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(SC)s1
Show InChI InChI=1S/C20H21N3O2S2/c1-4-15-12(2)21-20(16-9-10-18(26-3)27-16)23-19(15)22-14-7-5-13(6-8-14)11-17(24)25/h5-10H,4,11H2,1-3H3,(H,24,25)(H,21,22,23)
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n/an/a 34n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346100
PNG
(4-(5-allyl-6-ethyl-2-phenylpyrimidin-4-ylamino)ben...)
Show SMILES CCc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CC=C)-c1ccccc1
Show InChI InChI=1S/C22H21N3O2/c1-3-8-18-19(4-2)24-20(15-9-6-5-7-10-15)25-21(18)23-17-13-11-16(12-14-17)22(26)27/h3,5-7,9-14H,1,4,8H2,2H3,(H,26,27)(H,23,24,25)
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n/an/a 34n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
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n/an/a 37n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220727
PNG
(CHEMBL237534 | N-((1r,4r)-4-(3-fluoro-4-hydroxyphe...)
Show SMILES Oc1ccc(cc1F)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H24FNO2/c22-19-14-17(9-12-20(19)24)16-7-10-18(11-8-16)23-21(25)13-6-15-4-2-1-3-5-15/h1-5,9,12,14,16,18,24H,6-8,10-11,13H2,(H,23,25)/t16-,18-
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n/an/a 59n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346104
PNG
(4-(5-allyl-6-methyl-2-(thiophen-3-yl)pyrimidin-4-y...)
Show SMILES Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CC=C)-c1ccsc1
Show InChI InChI=1S/C19H17N3O2S/c1-3-4-16-12(2)20-17(14-9-10-25-11-14)22-18(16)21-15-7-5-13(6-8-15)19(23)24/h3,5-11H,1,4H2,2H3,(H,23,24)(H,20,21,22)
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n/an/a 68n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346112
PNG
(4-(5-allyl-2-(5-methoxythiophen-2-yl)-6-methylpyri...)
Show SMILES COc1ccc(s1)-c1nc(C)c(CC=C)c(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C20H19N3O3S/c1-4-5-15-12(2)21-19(16-10-11-17(26-3)27-16)23-18(15)22-14-8-6-13(7-9-14)20(24)25/h4,6-11H,1,5H2,2-3H3,(H,24,25)(H,21,22,23)
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n/an/a 78n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50346100
PNG
(4-(5-allyl-6-ethyl-2-phenylpyrimidin-4-ylamino)ben...)
Show SMILES CCc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CC=C)-c1ccccc1
Show InChI InChI=1S/C22H21N3O2/c1-3-8-18-19(4-2)24-20(15-9-6-5-7-10-15)25-21(18)23-17-13-11-16(12-14-17)22(26)27/h3,5-7,9-14H,1,4,8H2,2H3,(H,26,27)(H,23,24,25)
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n/an/a 82n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220720
PNG
(CHEMBL237752 | N-((1s,4s)-4-hydroxy-4-(2-oxo-2,3-d...)
Show SMILES O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1c[nH]c2nc(=O)oc2c1
Show InChI InChI=1S/C21H23N3O4/c25-18(7-6-14-4-2-1-3-5-14)23-16-8-10-21(27,11-9-16)15-12-17-19(22-13-15)24-20(26)28-17/h1-5,12-13,16,27H,6-11H2,(H,23,25)(H,22,24,26)/t16-,21+
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n/an/a 85n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220725
PNG
(CHEMBL237101 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Cc1cnc(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)s1
Show InChI InChI=1S/C19H24N2O2S/c1-13-12-20-19(24-13)11-10-18(23)21-16-6-2-14(3-7-16)15-4-8-17(22)9-5-15/h4-5,8-9,12,14,16,22H,2-3,6-7,10-11H2,1H3,(H,21,23)/t14-,16-
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n/an/a 96n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220728
PNG
(CHEMBL237962 | N-((1s,4s)-4-hydroxy-4-(5-hydroxy-4...)
Show SMILES Cc1cc(ncc1O)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H26N2O3/c1-15-13-19(22-14-18(15)24)21(26)11-9-17(10-12-21)23-20(25)8-7-16-5-3-2-4-6-16/h2-6,13-14,17,24,26H,7-12H2,1H3,(H,23,25)/t17-,21+
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n/an/a 116n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346103
PNG
(4-(5-allyl-6-methyl-2-(thiophen-2-yl)pyrimidin-4-y...)
Show SMILES Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CC=C)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-3-5-15-12(2)20-18(16-6-4-11-25-16)22-17(15)21-14-9-7-13(8-10-14)19(23)24/h3-4,6-11H,1,5H2,2H3,(H,23,24)(H,20,21,22)
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n/an/a 120n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346096
PNG
(4-(5-cyano-6-methyl-2-phenylpyrimidin-4-ylamino)be...)
Show SMILES Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1C#N)-c1ccccc1
Show InChI InChI=1S/C19H14N4O2/c1-12-16(11-20)18(22-15-9-7-14(8-10-15)19(24)25)23-17(21-12)13-5-3-2-4-6-13/h2-10H,1H3,(H,24,25)(H,21,22,23)
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n/an/a 120n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346091
PNG
(4-(5-ethyl-6-methyl-2-phenylpyrimidin-4-ylamino)be...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C20H19N3O2/c1-3-17-13(2)21-18(14-7-5-4-6-8-14)23-19(17)22-16-11-9-15(10-12-16)20(24)25/h4-12H,3H2,1-2H3,(H,24,25)(H,21,22,23)
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n/an/a 140n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346111
PNG
(4-(5-allyl-6-methyl-2-(5-methylthiophen-2-yl)pyrim...)
Show SMILES Cc1ccc(s1)-c1nc(C)c(CC=C)c(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C20H19N3O2S/c1-4-5-16-13(3)21-19(17-11-6-12(2)26-17)23-18(16)22-15-9-7-14(8-10-15)20(24)25/h4,6-11H,1,5H2,2-3H3,(H,24,25)(H,21,22,23)
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n/an/a 150n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220715
PNG
(CHEMBL237321 | N-((1s,4s)-4-hydroxy-4-(4-hydroxy-3...)
Show SMILES Cc1cc(ccc1O)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-16-15-18(8-9-20(16)24)22(26)13-11-19(12-14-22)23-21(25)10-7-17-5-3-2-4-6-17/h2-6,8-9,15,19,24,26H,7,10-14H2,1H3,(H,23,25)/t19-,22+
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n/an/a 189n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346118
PNG
(2-(4-(5-allyl-2-(5-methoxythiophen-2-yl)-6-methylp...)
Show SMILES COc1ccc(s1)-c1nc(C)c(CC=C)c(Nc2ccc(CC(O)=O)cc2)n1
Show InChI InChI=1S/C21H21N3O3S/c1-4-5-16-13(2)22-21(17-10-11-19(27-3)28-17)24-20(16)23-15-8-6-14(7-9-15)12-18(25)26/h4,6-11H,1,5,12H2,2-3H3,(H,25,26)(H,22,23,24)
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n/an/a 190n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346089
PNG
(4-(5-allyl-6-methyl-2-phenylpyrimidin-4-ylamino)be...)
Show SMILES Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CC=C)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c1-3-7-18-14(2)22-19(15-8-5-4-6-9-15)24-20(18)23-17-12-10-16(11-13-17)21(25)26/h3-6,8-13H,1,7H2,2H3,(H,25,26)(H,22,23,24)
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n/an/a 190n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346109
PNG
(4-(5-allyl-6-methyl-2-m-tolylpyrimidin-4-ylamino)b...)
Show SMILES Cc1cccc(c1)-c1nc(C)c(CC=C)c(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C22H21N3O2/c1-4-6-19-15(3)23-20(17-8-5-7-14(2)13-17)25-21(19)24-18-11-9-16(10-12-18)22(26)27/h4-5,7-13H,1,6H2,2-3H3,(H,26,27)(H,23,24,25)
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n/an/a 210n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346108
PNG
(4-(5-allyl-6-methyl-2-p-tolylpyrimidin-4-ylamino)b...)
Show SMILES Cc1ccc(cc1)-c1nc(C)c(CC=C)c(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C22H21N3O2/c1-4-5-19-15(3)23-20(16-8-6-14(2)7-9-16)25-21(19)24-18-12-10-17(11-13-18)22(26)27/h4,6-13H,1,5H2,2-3H3,(H,26,27)(H,23,24,25)
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n/an/a 220n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346110
PNG
(4-(5-allyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4...)
Show SMILES COc1ccc(cc1)-c1nc(C)c(CC=C)c(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C22H21N3O3/c1-4-5-19-14(2)23-20(15-8-12-18(28-3)13-9-15)25-21(19)24-17-10-6-16(7-11-17)22(26)27/h4,6-13H,1,5H2,2-3H3,(H,26,27)(H,23,24,25)
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n/an/a 220n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346098
PNG
(4-(5-formyl-6-methyl-2-phenylpyrimidin-4-ylamino)b...)
Show SMILES Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1C=O)-c1ccccc1
Show InChI InChI=1S/C19H15N3O3/c1-12-16(11-23)18(21-15-9-7-14(8-10-15)19(24)25)22-17(20-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,24,25)(H,20,21,22)
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n/an/a 300n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346117
PNG
(2-(4-(5-allyl-6-methyl-2-(5-methylthiophen-2-yl)py...)
Show SMILES Cc1ccc(s1)-c1nc(C)c(CC=C)c(Nc2ccc(CC(O)=O)cc2)n1
Show InChI InChI=1S/C21H21N3O2S/c1-4-5-17-14(3)22-21(18-11-6-13(2)27-18)24-20(17)23-16-9-7-15(8-10-16)12-19(25)26/h4,6-11H,1,5,12H2,2-3H3,(H,25,26)(H,22,23,24)
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n/an/a 320n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346090
PNG
(4-(5,6-dimethyl-2-phenylpyrimidin-4-ylamino)benzoi...)
Show SMILES Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1C)-c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c1-12-13(2)20-18(14-6-4-3-5-7-14)22-17(12)21-16-10-8-15(9-11-16)19(23)24/h3-11H,1-2H3,(H,23,24)(H,20,21,22)
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n/an/a 430n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346099
PNG
(4-(5-(hydroxymethyl)-6-methyl-2-phenylpyrimidin-4-...)
Show SMILES Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CO)-c1ccccc1
Show InChI InChI=1S/C19H17N3O3/c1-12-16(11-23)18(21-15-9-7-14(8-10-15)19(24)25)22-17(20-12)13-5-3-2-4-6-13/h2-10,23H,11H2,1H3,(H,24,25)(H,20,21,22)
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n/an/a 540n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346116
PNG
(2-(4-(5-allyl-2-(4-methoxyphenyl)-6-methylpyrimidi...)
Show SMILES COc1ccc(cc1)-c1nc(C)c(CC=C)c(Nc2ccc(CC(O)=O)cc2)n1
Show InChI InChI=1S/C23H23N3O3/c1-4-5-20-15(2)24-22(17-8-12-19(29-3)13-9-17)26-23(20)25-18-10-6-16(7-11-18)14-21(27)28/h4,6-13H,1,5,14H2,2-3H3,(H,27,28)(H,24,25,26)
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n/an/a 600n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346102
PNG
(4-(5-allyl-2-phenyl-6-propylpyrimidin-4-ylamino)be...)
Show SMILES CCCc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CC=C)-c1ccccc1
Show InChI InChI=1S/C23H23N3O2/c1-3-8-19-20(9-4-2)25-21(16-10-6-5-7-11-16)26-22(19)24-18-14-12-17(13-15-18)23(27)28/h3,5-7,10-15H,1,4,8-9H2,2H3,(H,27,28)(H,24,25,26)
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n/an/a 690n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220713
PNG
(CHEMBL237323 | N-((1r,4r)-4-(4-hydroxy-2-methylphe...)
Show SMILES Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-15-20(24)12-13-21(16)18-8-10-19(11-9-18)23-22(25)14-7-17-5-3-2-4-6-17/h2-6,12-13,15,18-19,24H,7-11,14H2,1H3,(H,23,25)/t18-,19-
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n/an/a 722n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50346112
PNG
(4-(5-allyl-2-(5-methoxythiophen-2-yl)-6-methylpyri...)
Show SMILES COc1ccc(s1)-c1nc(C)c(CC=C)c(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C20H19N3O3S/c1-4-5-15-12(2)21-19(16-10-11-17(26-3)27-16)23-18(15)22-14-8-6-13(7-9-14)20(24)25/h4,6-11H,1,5H2,2-3H3,(H,24,25)(H,21,22,23)
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n/an/a 760n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220718
PNG
(CHEMBL236895 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccn1
Show InChI InChI=1S/C20H24N2O2/c23-19-11-6-16(7-12-19)15-4-8-18(9-5-15)22-20(24)13-10-17-3-1-2-14-21-17/h1-3,6-7,11-12,14-15,18,23H,4-5,8-10,13H2,(H,22,24)/t15-,18-
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n/an/a 856n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346107
PNG
(4-(5-allyl-6-methyl-2-(pyrazin-2-yl)pyrimidin-4-yl...)
Show SMILES Cc1nc(nc(Nc2ccc(cc2)C(O)=O)c1CC=C)-c1cnccn1
Show InChI InChI=1S/C19H17N5O2/c1-3-4-15-12(2)22-18(16-11-20-9-10-21-16)24-17(15)23-14-7-5-13(6-8-14)19(25)26/h3,5-11H,1,4H2,2H3,(H,25,26)(H,22,23,24)
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n/an/a 860n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.121
BindingDB Entry DOI: 10.7270/Q26110NQ
More data for this
Ligand-Target Pair
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