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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'kubota' and Initial = 't'   
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
Renin


(Homo sapiens (Human))
BDBM50012951
PNG
(4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...)
Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of renin from human


J Med Chem 33: 2707-14 (1990)


BindingDB Entry DOI: 10.7270/Q2N29XJZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012951
PNG
(4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...)
Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL




J Med Chem 33: 2707-14 (1990)


BindingDB Entry DOI: 10.7270/Q2N29XJZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012950
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)/t26-,29-,30+,32?/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL




J Med Chem 33: 2707-14 (1990)


BindingDB Entry DOI: 10.7270/Q2N29XJZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012950
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)/t26-,29-,30+,32?/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of renin from human


J Med Chem 33: 2707-14 (1990)


BindingDB Entry DOI: 10.7270/Q2N29XJZ
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
Renin


(Homo sapiens (Human))
BDBM50022531
PNG
((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)
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n/an/a 7.80n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from human


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of Cathepsin D from bovine


J Med Chem 33: 2707-14 (1990)


BindingDB Entry DOI: 10.7270/Q2N29XJZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022525
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C33H43N5O7/c1-21(2)15-27(30(40)33(43)44-3)36-32(42)28(18-25-19-34-20-35-25)37-31(41)24(17-29(39)38-11-13-45-14-12-38)16-23-9-6-8-22-7-4-5-10-26(22)23/h4-10,19-21,24,27-28,30,40H,11-18H2,1-3H3,(H,34,35)(H,36,42)(H,37,41)
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n/an/a 11n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human renin


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
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)
Pepsin A


(Porcine)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of pepsin from porcine


J Med Chem 33: 2707-14 (1990)


BindingDB Entry DOI: 10.7270/Q2N29XJZ
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
Renin


(Homo sapiens (Human))
BDBM50022526
PNG
((-)2-Hydroxy-3-{3-(1H-imidazol-4-yl)-2-[3-naphthal...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C37H45N5O6/c1-24(2)18-31(34(44)37(47)48-3)41-36(46)32(21-29-22-38-23-40-29)42-35(45)28(19-27-14-9-13-26-12-7-8-15-30(26)27)20-33(43)39-17-16-25-10-5-4-6-11-25/h4-15,22-24,28,31-32,34,44H,16-21H2,1-3H3,(H,38,40)(H,39,43)(H,41,46)(H,42,45)
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n/an/a 21n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL




J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022529
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C34H45N5O6/c1-22(2)16-28(31(41)34(44)45-3)37-33(43)29(19-26-20-35-21-36-26)38-32(42)25(18-30(40)39-14-7-4-8-15-39)17-24-12-9-11-23-10-5-6-13-27(23)24/h5-6,9-13,20-22,25,28-29,31,41H,4,7-8,14-19H2,1-3H3,(H,35,36)(H,37,43)(H,38,42)
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n/an/a 24n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from dog


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022531
PNG
((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)
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n/an/a 25n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from dog


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022530
PNG
(3-[2-(3-Dimethylcarbamoyl-2-naphthalen-1-ylmethyl-...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C31H41N5O6/c1-19(2)13-25(28(38)31(41)42-5)34-30(40)26(16-23-17-32-18-33-23)35-29(39)22(15-27(37)36(3)4)14-21-11-8-10-20-9-6-7-12-24(20)21/h6-12,17-19,22,25-26,28,38H,13-16H2,1-5H3,(H,32,33)(H,34,40)(H,35,39)
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n/an/a 25n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from dog


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
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 |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
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)
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 |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
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)
Renin


(Homo sapiens (Human))
BDBM50022529
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C34H45N5O6/c1-22(2)16-28(31(41)34(44)45-3)37-33(43)29(19-26-20-35-21-36-26)38-32(42)25(18-30(40)39-14-7-4-8-15-39)17-24-12-9-11-23-10-5-6-13-27(23)24/h5-6,9-13,20-22,25,28-29,31,41H,4,7-8,14-19H2,1-3H3,(H,35,36)(H,37,43)(H,38,42)
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n/an/a 41n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from human


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022525
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C33H43N5O7/c1-21(2)15-27(30(40)33(43)44-3)36-32(42)28(18-25-19-34-20-35-25)37-31(41)24(17-29(39)38-11-13-45-14-12-38)16-23-9-6-8-22-7-4-5-10-26(22)23/h4-10,19-21,24,27-28,30,40H,11-18H2,1-3H3,(H,34,35)(H,36,42)(H,37,41)
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n/an/a 52n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human renin


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022530
PNG
(3-[2-(3-Dimethylcarbamoyl-2-naphthalen-1-ylmethyl-...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C31H41N5O6/c1-19(2)13-25(28(38)31(41)42-5)34-30(40)26(16-23-17-32-18-33-23)35-29(39)22(15-27(37)36(3)4)14-21-11-8-10-20-9-6-7-12-24(20)21/h6-12,17-19,22,25-26,28,38H,13-16H2,1-5H3,(H,32,33)(H,34,40)(H,35,39)
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n/an/a 64n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from human


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022527
PNG
(3-Hydroxy-4-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)CC(=O)OC(C)C
Show InChI InChI=1S/C36H49N5O7/c1-23(2)16-30(32(42)20-34(44)48-24(3)4)39-36(46)31(19-28-21-37-22-38-28)40-35(45)27(18-33(43)41-12-14-47-15-13-41)17-26-10-7-9-25-8-5-6-11-29(25)26/h5-11,21-24,27,30-32,42H,12-20H2,1-4H3,(H,37,38)(H,39,46)(H,40,45)
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n/an/a 66n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from dog


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
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
Renin


(Homo sapiens (Human))
BDBM50022526
PNG
((-)2-Hydroxy-3-{3-(1H-imidazol-4-yl)-2-[3-naphthal...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C37H45N5O6/c1-24(2)18-31(34(44)37(47)48-3)41-36(46)32(21-29-22-38-23-40-29)42-35(45)28(19-27-14-9-13-26-12-7-8-15-30(26)27)20-33(43)39-17-16-25-10-5-4-6-11-25/h4-15,22-24,28,31-32,34,44H,16-21H2,1-3H3,(H,38,40)(H,39,43)(H,41,46)(H,42,45)
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n/an/a 78n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human renin


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022530
PNG
(3-[2-(3-Dimethylcarbamoyl-2-naphthalen-1-ylmethyl-...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C31H41N5O6/c1-19(2)13-25(28(38)31(41)42-5)34-30(40)26(16-23-17-32-18-33-23)35-29(39)22(15-27(37)36(3)4)14-21-11-8-10-20-9-6-7-12-24(20)21/h6-12,17-19,22,25-26,28,38H,13-16H2,1-5H3,(H,32,33)(H,34,40)(H,35,39)
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n/an/a 78n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from human


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
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
Renin


(Homo sapiens (Human))
BDBM50022526
PNG
((-)2-Hydroxy-3-{3-(1H-imidazol-4-yl)-2-[3-naphthal...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C37H45N5O6/c1-24(2)18-31(34(44)37(47)48-3)41-36(46)32(21-29-22-38-23-40-29)42-35(45)28(19-27-14-9-13-26-12-7-8-15-30(26)27)20-33(43)39-17-16-25-10-5-4-6-11-25/h4-15,22-24,28,31-32,34,44H,16-21H2,1-3H3,(H,38,40)(H,39,43)(H,41,46)(H,42,45)
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n/an/a 90n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from human


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012952
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)OC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C38H45N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h3-14,23-25,29,32-33,35,45H,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33+,35?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of renin from human


J Med Chem 33: 2707-14 (1990)


BindingDB Entry DOI: 10.7270/Q2N29XJZ
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
Renin


(Homo sapiens (Human))
BDBM50022524
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)NC(C)C
Show InChI InChI=1S/C35H48N6O6/c1-22(2)16-29(32(43)35(46)38-23(3)4)39-34(45)30(19-27-20-36-21-37-27)40-33(44)26(18-31(42)41-12-14-47-15-13-41)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,43H,12-19H2,1-4H3,(H,36,37)(H,38,46)(H,39,45)(H,40,44)
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL




J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022524
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)NC(C)C
Show InChI InChI=1S/C35H48N6O6/c1-22(2)16-29(32(43)35(46)38-23(3)4)39-34(45)30(19-27-20-36-21-37-27)40-33(44)26(18-31(42)41-12-14-47-15-13-41)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,43H,12-19H2,1-4H3,(H,36,37)(H,38,46)(H,39,45)(H,40,44)
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n/an/a 130n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human renin


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
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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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
Renin


(Homo sapiens (Human))
BDBM50022531
PNG
((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human renin


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
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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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
Renin


(Homo sapiens (Human))
BDBM50022527
PNG
(3-Hydroxy-4-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)CC(=O)OC(C)C
Show InChI InChI=1S/C36H49N5O7/c1-23(2)16-30(32(42)20-34(44)48-24(3)4)39-36(46)31(19-28-21-37-22-38-28)40-35(45)27(18-33(43)41-12-14-47-15-13-41)17-26-10-7-9-25-8-5-6-11-29(25)26/h5-11,21-24,27,30-32,42H,12-20H2,1-4H3,(H,37,38)(H,39,46)(H,40,45)
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from human


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
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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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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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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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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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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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
Renin


(Homo sapiens (Human))
BDBM50012952
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)OC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C38H45N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h3-14,23-25,29,32-33,35,45H,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33+,35?/m1/s1
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Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL




J Med Chem 33: 2707-14 (1990)


BindingDB Entry DOI: 10.7270/Q2N29XJZ
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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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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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
Renin


(Homo sapiens (Human))
BDBM50022527
PNG
(3-Hydroxy-4-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)CC(=O)OC(C)C
Show InChI InChI=1S/C36H49N5O7/c1-23(2)16-30(32(42)20-34(44)48-24(3)4)39-36(46)31(19-28-21-37-22-38-28)40-35(45)27(18-33(43)41-12-14-47-15-13-41)17-26-10-7-9-25-8-5-6-11-29(25)26/h5-11,21-24,27,30-32,42H,12-20H2,1-4H3,(H,37,38)(H,39,46)(H,40,45)
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from human


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022529
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...)
Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C34H45N5O6/c1-22(2)16-28(31(41)34(44)45-3)37-33(43)29(19-26-20-35-21-36-26)38-32(42)25(18-30(40)39-14-7-4-8-15-39)17-24-12-9-11-23-10-5-6-13-27(23)24/h5-6,9-13,20-22,25,28-29,31,41H,4,7-8,14-19H2,1-3H3,(H,35,36)(H,37,43)(H,38,42)
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration was measured against plasma renin from dog


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
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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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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