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Compile Data Set for Download or QSAR

Found 300 hits from Asahi Kasei Pharma Corporation   
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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276262
PNG
(CHEMBL4129609)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)
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8.70n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186367
PNG
(CHEMBL379959 | c(his-D-phe-arg-trp-Ahp))
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C39H51N11O5/c40-39(41)44-18-10-15-30-36(53)50-32(20-26-22-45-29-14-8-7-13-28(26)29)35(52)43-17-9-2-1-6-16-34(51)47-33(21-27-23-42-24-46-27)38(55)49-31(37(54)48-30)19-25-11-4-3-5-12-25/h3-5,7-8,11-14,22-24,30-33,45H,1-2,6,9-10,15-21H2,(H,42,46)(H,43,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)(H4,40,41,44)/t30-,31+,32+,33+/m0/s1
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244n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3723-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50444438
PNG
(CHEMBL2442495)
Show SMILES Cc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O2S/c1-13-17(14-8-4-2-5-9-14)22-23(18(13)15-10-6-3-7-11-15)20-21-16(12-26-20)19(24)25/h2-12H,1H3,(H,24,25)
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290n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186371
PNG
(CHEMBL264120 | c(his-D-phe-arg-trp-Aoc))
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc2cnc[nH]2)NC(=O)CCCCCCCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C40H54N10O4/c41-40(42)44-19-11-16-33-38(53)50-34(21-28-23-45-32-15-10-9-14-31(28)32)36(51)17-7-2-1-3-8-18-37(52)48-30(22-29-24-43-26-47-29)25-46-35(39(54)49-33)20-27-12-5-4-6-13-27/h4-6,9-10,12-15,23-24,26,30,33-35,45-46H,1-3,7-8,11,16-22,25H2,(H,43,47)(H,48,52)(H,49,54)(H,50,53)(H4,41,42,44)/t30-,33-,34-,35-/m0/s1
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319n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3723-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493969
PNG
(CHEMBL2442490)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1C(F)(F)F)-c1ccccc1O
Show InChI InChI=1S/C14H8F3N3O3S/c15-14(16,17)11-5-8(7-3-1-2-4-10(7)21)19-20(11)13-18-9(6-24-13)12(22)23/h1-6,21H,(H,22,23)
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530n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186370
PNG
(CHEMBL379627 | c(his-D-phe-arg-trp-Ahx))
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C38H49N11O5/c39-38(40)43-17-9-14-29-35(52)49-31(19-25-21-44-28-13-7-6-12-27(25)28)34(51)42-16-8-2-5-15-33(50)46-32(20-26-22-41-23-45-26)37(54)48-30(36(53)47-29)18-24-10-3-1-4-11-24/h1,3-4,6-7,10-13,21-23,29-32,44H,2,5,8-9,14-20H2,(H,41,45)(H,42,51)(H,46,50)(H,47,53)(H,48,54)(H,49,52)(H4,39,40,43)/t29-,30+,31-,32+/m0/s1
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670n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3723-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276262
PNG
(CHEMBL4129609)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)
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>2.70E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to EP4 receptor (unknown origin)


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50444438
PNG
(CHEMBL2442495)
Show SMILES Cc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O2S/c1-13-17(14-8-4-2-5-9-14)22-23(18(13)15-10-6-3-7-11-15)20-21-16(12-26-20)19(24)25/h2-12H,1H3,(H,24,25)
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>2.70E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493968
PNG
(CHEMBL2442485)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1nc(cs1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3O3S/c1-24-9-4-2-8(3-5-9)11-6-12(15(16,17)18)20-21(11)14-19-10(7-25-14)13(22)23/h2-7H,1H3,(H,22,23)
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>2.70E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493969
PNG
(CHEMBL2442490)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1C(F)(F)F)-c1ccccc1O
Show InChI InChI=1S/C14H8F3N3O3S/c15-14(16,17)11-5-8(7-3-1-2-4-10(7)21)19-20(11)13-18-9(6-24-13)12(22)23/h1-6,21H,(H,22,23)
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>2.70E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186366
PNG
(CHEMBL211131 | c(his-L-phe-arg-trp-Aoc))
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C40H53N11O5/c41-40(42)45-19-11-16-31-37(54)51-33(21-27-23-46-30-15-9-8-14-29(27)30)36(53)44-18-10-3-1-2-7-17-35(52)48-34(22-28-24-43-25-47-28)39(56)50-32(38(55)49-31)20-26-12-5-4-6-13-26/h4-6,8-9,12-15,23-25,31-34,46H,1-3,7,10-11,16-22H2,(H,43,47)(H,44,53)(H,48,52)(H,49,55)(H,50,56)(H,51,54)(H4,41,42,45)/t31-,32-,33-,34+/m0/s1
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4.42E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3723-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50444438
PNG
(CHEMBL2442495)
Show SMILES Cc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O2S/c1-13-17(14-8-4-2-5-9-14)22-23(18(13)15-10-6-3-7-11-15)20-21-16(12-26-20)19(24)25/h2-12H,1H3,(H,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276262
PNG
(CHEMBL4129609)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor (unknown origin)


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493969
PNG
(CHEMBL2442490)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1C(F)(F)F)-c1ccccc1O
Show InChI InChI=1S/C14H8F3N3O3S/c15-14(16,17)11-5-8(7-3-1-2-4-10(7)21)19-20(11)13-18-9(6-24-13)12(22)23/h1-6,21H,(H,22,23)
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>5.00E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493968
PNG
(CHEMBL2442485)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1nc(cs1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3O3S/c1-24-9-4-2-8(3-5-9)11-6-12(15(16,17)18)20-21(11)14-19-10(7-25-14)13(22)23/h2-7H,1H3,(H,22,23)
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>5.00E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186368
PNG
(CHEMBL379531 | c(his-D-phe-arg-trp-Abu))
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C36H45N11O5/c37-36(38)41-15-6-12-27-33(50)47-29(17-23-19-42-26-11-5-4-10-25(23)26)32(49)40-14-7-13-31(48)44-30(18-24-20-39-21-43-24)35(52)46-28(34(51)45-27)16-22-8-2-1-3-9-22/h1-5,8-11,19-21,27-30,42H,6-7,12-18H2,(H,39,43)(H,40,49)(H,44,48)(H,45,51)(H,46,52)(H,47,50)(H4,37,38,41)/t27-,28+,29-,30+/m0/s1
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5.78E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3723-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50444438
PNG
(CHEMBL2442495)
Show SMILES Cc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O2S/c1-13-17(14-8-4-2-5-9-14)22-23(18(13)15-10-6-3-7-11-15)20-21-16(12-26-20)19(24)25/h2-12H,1H3,(H,24,25)
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>8.00E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493969
PNG
(CHEMBL2442490)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1C(F)(F)F)-c1ccccc1O
Show InChI InChI=1S/C14H8F3N3O3S/c15-14(16,17)11-5-8(7-3-1-2-4-10(7)21)19-20(11)13-18-9(6-24-13)12(22)23/h1-6,21H,(H,22,23)
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>8.00E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493968
PNG
(CHEMBL2442485)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1nc(cs1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3O3S/c1-24-9-4-2-8(3-5-9)11-6-12(15(16,17)18)20-21(11)14-19-10(7-25-14)13(22)23/h2-7H,1H3,(H,22,23)
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>8.00E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493968
PNG
(CHEMBL2442485)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1nc(cs1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3O3S/c1-24-9-4-2-8(3-5-9)11-6-12(15(16,17)18)20-21(11)14-19-10(7-25-14)13(22)23/h2-7H,1H3,(H,22,23)
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8.70E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor


Bioorg Med Chem Lett 23: 6064-7 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276262
PNG
(CHEMBL4129609)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)
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>8.70E+3n/an/an/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to EP2 receptor (unknown origin)


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276262
PNG
(CHEMBL4129609)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)
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n/an/a 0.300n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50449137
PNG
(CHEMBL3127163)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H10F3N3O2S/c19-18(20,21)11-6-7-12-14(8-11)24(17-22-13(9-27-17)16(25)26)23-15(12)10-4-2-1-3-5-10/h1-9H,(H,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276250
PNG
(CHEMBL4126319)
Show SMILES OC(=O)c1csc(n1)-n1nc(C2=CCCCO2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O3S/c18-17(19,20)9-4-5-10-12(7-9)23(16-21-11(8-27-16)15(24)25)22-14(10)13-3-1-2-6-26-13/h3-5,7-8H,1-2,6H2,(H,24,25)
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n/an/a 0.700n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276265
PNG
(CHEMBL4129545)
Show SMILES OC(=O)c1csc(Cn2nc(-c3ccccc3)c3ccc(cc23)C(F)(F)F)n1
Show InChI InChI=1S/C19H12F3N3O2S/c20-19(21,22)12-6-7-13-15(8-12)25(9-16-23-14(10-28-16)18(26)27)24-17(13)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276264
PNG
(CHEMBL4128163)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ncc(cc12)C(F)(F)F
Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)10-6-12-14(21-7-10)13(9-4-2-1-3-5-9)23-24(12)16-22-11(8-27-16)15(25)26/h1-8H,(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276263
PNG
(CHEMBL4129401)
Show SMILES CN(C)c1ccc2c(nn(Cc3nc(cs3)C(O)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C19H17N5O2S/c1-23(2)15-9-8-13-17(12-6-4-3-5-7-12)22-24(18(13)21-15)10-16-20-14(11-27-16)19(25)26/h3-9,11H,10H2,1-2H3,(H,25,26)
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Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276249
PNG
(CHEMBL4126167)
Show SMILES OC(=O)c1csc(n1)N1N=C(C2CCC(CC12)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H16F3N3O2S/c19-18(20,21)11-6-7-12-14(8-11)24(17-22-13(9-27-17)16(25)26)23-15(12)10-4-2-1-3-5-10/h1-5,9,11-12,14H,6-8H2,(H,25,26)
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Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

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))
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))
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
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=1/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)
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=1/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)
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50276266
PNG
(CHEMBL4126096)
Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)N1CCC1
Show InChI InChI=1S/C19H15N5O2S/c25-18(26)14-11-27-19(20-14)24-17-13(7-8-15(21-17)23-9-4-10-23)16(22-24)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H,25,26)
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n/an/a 40n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 28: 2408-2412 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50444438
PNG
(CHEMBL2442495)
Show SMILES Cc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O2S/c1-13-17(14-8-4-2-5-9-14)22-23(18(13)15-10-6-3-7-11-15)20-21-16(12-26-20)19(24)25/h2-12H,1H3,(H,24,25)
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n/an/a 50n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human EP1 receptor by reporter gene assay


Bioorg Med Chem Lett 23: 6064-7 (2013)

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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493974
PNG
(CHEMBL2442494)
Show SMILES Cc1c(nn(-c2nc(cs2)C(O)=O)c1C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C15H10F3N3O2S/c1-8-11(9-5-3-2-4-6-9)20-21(12(8)15(16,17)18)14-19-10(7-24-14)13(22)23/h2-7H,1H3,(H,22,23)
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n/an/a 84n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human EP1 receptor by reporter gene assay


Bioorg Med Chem Lett 23: 6064-7 (2013)

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))
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))
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445402
PNG
(CHEMBL3104658)
Show SMILES CCCC1S\C(NC1=O)=C\c1nc2ccccc2[nH]1
Show InChI InChI=1/C14H15N3OS/c1-2-5-11-14(18)17-13(19-11)8-12-15-9-6-3-4-7-10(9)16-12/h3-4,6-8,11H,2,5H2,1H3,(H,15,16)(H,17,18)/b13-8+
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n/an/a 170n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50493969
PNG
(CHEMBL2442490)
Show SMILES OC(=O)c1csc(n1)-n1nc(cc1C(F)(F)F)-c1ccccc1O
Show InChI InChI=1S/C14H8F3N3O3S/c15-14(16,17)11-5-8(7-3-1-2-4-10(7)21)19-20(11)13-18-9(6-24-13)12(22)23/h1-6,21H,(H,22,23)
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n/an/a 180n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human EP1 receptor by reporter gene assay


Bioorg Med Chem Lett 23: 6064-7 (2013)

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
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