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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'murata' and Initial = 'm'   
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
Glucagon receptor


(Homo sapiens (Human))
BDBM50122102
PNG
(3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...)
Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C
Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+
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n/an/a 2.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human glucagon receptor


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 5.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in rat hepatocytes after 15 mins by cAMP dynamic2 assay


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067407
PNG
((3R)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[p...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Sus scrofa)
BDBM50009777
PNG
((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...)
Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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n/an/a 21n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM16499
PNG
((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1
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n/an/a 23n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Sus scrofa)
BDBM50067390
PNG
(2'-(3,4-dichlorobenzyl)spiro[tetrahydro-1H-pyrrole...)
Show SMILES Clc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1Cl
Show InChI InChI=1S/C17H11Cl2N3O4/c18-10-4-3-9(6-11(10)19)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)
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n/an/a 23n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM16500
PNG
((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)CC)C(O)=O |r|
Show InChI InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10?,11-,12-,13-,14-/m0/s1
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n/an/a 24n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin B


(Bos taurus (bovine))
BDBM16502
PNG
((2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(benzylcarbamoyl)oxi...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C22H29N3O6/c1-3-13(2)16(21(28)25-11-7-10-15(25)22(29)30)24-20(27)18-17(31-18)19(26)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/t13-,15-,16-,17-,18-/m0/s1
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n/an/a 29n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50151243
PNG
(CHEMBL3771129)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(cc1)-c1cccc(c1)C#N |r,c:6|
Show InChI InChI=1/C27H23N5O2S/c1-15-16(2)35-27-24(15)25(29-22(13-23(33)34-4)26-31-30-17(3)32(26)27)20-10-8-19(9-11-20)21-7-5-6-18(12-21)14-28/h5-12,22H,13H2,1-4H3/t22-/s2
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n/an/a 34n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged BRD4 (unknown origin)-biotinylated AcH4 (Lys5, 8, 12, 16) histone peptide binding expressed in CHO cells after 60 mins by T...


Bioorg Med Chem Lett 26: 1365-70 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ67XN
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067379
PNG
(2'-(3-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...)
Show SMILES Clc1cccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c1
Show InChI InChI=1S/C17H12ClN3O4/c18-11-4-1-3-10(7-11)9-20-14(23)12-5-2-6-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
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n/an/a 35n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067401
PNG
(2'-(4-bromo-2-fluorobenzyl)-6'-chlorospiro[tetrahy...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)n2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H10BrClFN3O4/c18-9-2-1-8(10(20)5-9)7-22-14(25)11-3-4-12(19)23(11)17(16(22)27)6-13(24)21-15(17)26/h1-5H,6-7H2,(H,21,24,26)
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n/an/a 35n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067409
PNG
(2'-(3-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...)
Show SMILES Brc1cccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c1
Show InChI InChI=1S/C17H12BrN3O4/c18-11-4-1-3-10(7-11)9-20-14(23)12-5-2-6-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
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n/an/a 37n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067391
PNG
(2'-(2-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...)
Show SMILES Clc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H12ClN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
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n/an/a 37n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM16509
PNG
((2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarb...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r|
Show InChI InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1
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n/an/a 38n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Sus scrofa)
BDBM50067396
PNG
(2'-(4-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...)
Show SMILES Clc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C17H12ClN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
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n/an/a 38n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067400
PNG
(6'-bromo-2'-(4-bromo-2-fluorobenzyl)spiro[tetrahyd...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Br)n2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H10Br2FN3O4/c18-9-2-1-8(10(20)5-9)7-22-14(25)11-3-4-12(19)23(11)17(16(22)27)6-13(24)21-15(17)26/h1-5H,6-7H2,(H,21,24,26)
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n/an/a 40n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM16510
PNG
((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1
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n/an/a 40n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Sus scrofa)
BDBM50067375
PNG
(2'-(4-chloro-2-fluorobenzyl)spiro[tetrahydro-1H-py...)
Show SMILES Fc1cc(Cl)ccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H11ClFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)
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n/an/a 41n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067376
PNG
(2'-(4-bromo-2-fluorobenzyl)spiro[tetrahydro-1H-pyr...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)
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n/an/a 45n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067382
PNG
(2'-(4-methoxybenzyl)spiro[tetrahydro-1H-pyrrole-3,...)
Show SMILES COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C18H15N3O5/c1-26-12-6-4-11(5-7-12)10-20-15(23)13-3-2-8-21(13)18(17(20)25)9-14(22)19-16(18)24/h2-8H,9-10H2,1H3,(H,19,22,24)
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n/an/a 46n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067399
PNG
(2'-(4-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...)
Show SMILES Brc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C17H12BrN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
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n/an/a 47n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067402
PNG
(2'-(4-bromo-2-fluorobenzyl)-7'-chlorospiro[tetrahy...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Cl)cn2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H10BrClFN3O4/c18-9-2-1-8(11(20)3-9)6-22-14(25)12-4-10(19)7-23(12)17(16(22)27)5-13(24)21-15(17)26/h1-4,7H,5-6H2,(H,21,24,26)
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n/an/a 50n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067395
PNG
(6',7'-dibromo-2'-(4-bromo-2-fluorobenzyl)spiro[tet...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Br)c(Br)n2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H9Br3FN3O4/c18-8-2-1-7(10(21)3-8)6-23-14(26)11-4-9(19)13(20)24(11)17(16(23)28)5-12(25)22-15(17)27/h1-4H,5-6H2,(H,22,25,27)
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n/an/a 52n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067413
PNG
(2'-(2-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...)
Show SMILES Brc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H12BrN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
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n/an/a 52n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067386
PNG
(2'-(4-methylbenzyl)spiro[tetrahydro-1H-pyrrole-3,4...)
Show SMILES Cc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C18H15N3O4/c1-11-4-6-12(7-5-11)10-20-15(23)13-3-2-8-21(13)18(17(20)25)9-14(22)19-16(18)24/h2-8H,9-10H2,1H3,(H,19,22,24)
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n/an/a 52n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067411
PNG
(2'-(2-fluorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...)
Show SMILES Fc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H12FN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
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n/an/a 61n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067387
PNG
(2'-(2,4-difluorobenzyl)spiro[tetrahydro-1H-pyrrole...)
Show SMILES Fc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(F)c1
Show InChI InChI=1S/C17H11F2N3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)
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n/an/a 72n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067414
PNG
(2'-(4-trifluoromethylbenzyl)spiro[tetrahydro-1H-py...)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C18H12F3N3O4/c19-18(20,21)11-5-3-10(4-6-11)9-23-14(26)12-2-1-7-24(12)17(16(23)28)8-13(25)22-15(17)27/h1-7H,8-9H2,(H,22,25,27)
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n/an/a 80n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057824
PNG
(CHEMBL3326175)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17N3O6/c28-20-12-11-17(13-19(20)27(31)32)23(29)25-26-24(30)22-21(16-9-5-2-6-10-16)18(14-33-22)15-7-3-1-4-8-15/h1-14,28H,(H,25,29)(H,26,30)
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n/an/a 87n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067394
PNG
(2'-benzylspiro[tetrahydro-1H-pyrrole-3,4'-(1',2',3...)
Show SMILES O=C1CC2(C(=O)N1)C(=O)N(Cc1ccccc1)C(=O)c1cccn21
Show InChI InChI=1S/C17H13N3O4/c21-13-9-17(15(23)18-13)16(24)19(10-11-5-2-1-3-6-11)14(22)12-7-4-8-20(12)17/h1-8H,9-10H2,(H,18,21,23)
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n/an/a 99n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067388
PNG
(7'-bromo-2'-(4-bromo-2-fluorobenzyl)spiro[tetrahyd...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Br)cn2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H10Br2FN3O4/c18-9-2-1-8(11(20)3-9)6-22-14(25)12-4-10(19)7-23(12)17(16(22)27)5-13(24)21-15(17)26/h1-4,7H,5-6H2,(H,21,24,26)
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n/an/a 100n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067380
PNG
(2'-(4-nitrobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...)
Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C17H12N4O6/c22-13-8-17(15(24)18-13)16(25)19(14(23)12-2-1-7-20(12)17)9-10-3-5-11(6-4-10)21(26)27/h1-7H,8-9H2,(H,18,22,24)
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n/an/a 110n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067381
PNG
(2'-(3,4-dimethoxybenzyl)spiro[tetrahydro-1H-pyrrol...)
Show SMILES COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1OC
Show InChI InChI=1S/C19H17N3O6/c1-27-13-6-5-11(8-14(13)28-2)10-21-16(24)12-4-3-7-22(12)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)
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n/an/a 110n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM16508
PNG
((2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C17H26N2O7/c1-4-9(3)11(15(21)19-8-6-7-10(19)16(22)23)18-14(20)12-13(26-12)17(24)25-5-2/h9-13H,4-8H2,1-3H3,(H,18,20)(H,22,23)/t9-,10-,11-,12-,13-/m0/s1
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n/an/a 120n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldose reductase


(Sus scrofa)
BDBM50067404
PNG
(2'-(4-fluorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...)
Show SMILES Fc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C17H12FN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)
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n/an/a 120n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067398
PNG
(CHEMBL133662 | [2-(3,4-Dichloro-benzyl)-1,3-dioxo-...)
Show SMILES OC(=O)CC1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn12
Show InChI InChI=1S/C16H12Cl2N2O4/c17-10-4-3-9(6-11(10)18)8-20-15(23)12-2-1-5-19(12)13(16(20)24)7-14(21)22/h1-6,13H,7-8H2,(H,21,22)
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n/an/a 131n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067405
PNG
(3-[2-(3,4-Dichloro-benzyl)-1,3-dioxo-1,2,3,4-tetra...)
Show SMILES OC(=O)CCC1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn12
Show InChI InChI=1S/C17H14Cl2N2O4/c18-11-4-3-10(8-12(11)19)9-21-16(24)13-2-1-7-20(13)14(17(21)25)5-6-15(22)23/h1-4,7-8,14H,5-6,9H2,(H,22,23)
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n/an/a 132n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067403
PNG
(2'-(4-aminobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...)
Show SMILES Nc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
Show InChI InChI=1S/C17H14N4O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9,18H2,(H,19,22,24)
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n/an/a 140n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057820
PNG
(CHEMBL3326174)
Show SMILES Oc1ccc(cc1C(F)(F)F)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H17F3N2O4/c26-25(27,28)19-13-17(11-12-20(19)31)23(32)29-30-24(33)22-21(16-9-5-2-6-10-16)18(14-34-22)15-7-3-1-4-8-15/h1-14,31H,(H,29,32)(H,30,33)
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n/an/a 160n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067392
PNG
(CHEMBL134089 | [2-(4-Bromo-2-fluoro-benzyl)-1,3-di...)
Show SMILES OC(=O)CC1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cccn12
Show InChI InChI=1S/C16H12BrFN2O4/c17-10-4-3-9(11(18)6-10)8-20-15(23)12-2-1-5-19(12)13(16(20)24)7-14(21)22/h1-6,13H,7-8H2,(H,21,22)
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n/an/a 165n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067397
PNG
((3S)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[p...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@]2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067416
PNG
(2'-phenylspiro[tetrahydro-1H-pyrrole-3,4'-(1',2',3...)
Show SMILES O=C1CC2(C(=O)N1)C(=O)N(C(=O)c1cccn21)c1ccccc1
Show InChI InChI=1S/C16H11N3O4/c20-12-9-16(14(22)17-12)15(23)19(10-5-2-1-3-6-10)13(21)11-7-4-8-18(11)16/h1-8H,9H2,(H,17,20,22)
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n/an/a 200n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067408
PNG
(7'-acetyl-2'-(4-bromo-2-fluorobenzyl)spiro[tetrahy...)
Show SMILES CC(=O)c1cc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)n2c1
Show InChI InChI=1S/C19H13BrFN3O5/c1-9(25)11-4-14-16(27)23(7-10-2-3-12(20)5-13(10)21)18(29)19(24(14)8-11)6-15(26)22-17(19)28/h2-5,8H,6-7H2,1H3,(H,22,26,28)
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n/an/a 210n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067385
PNG
(2'-phenethylspiro[tetrahydro-1H-pyrrole-3,4'-(1',2...)
Show SMILES O=C1CC2(C(=O)N1)C(=O)N(CCc1ccccc1)C(=O)c1cccn21
Show InChI InChI=1S/C18H15N3O4/c22-14-11-18(16(24)19-14)17(25)20(10-8-12-5-2-1-3-6-12)15(23)13-7-4-9-21(13)18/h1-7,9H,8,10-11H2,(H,19,22,24)
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n/an/a 270n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057813
PNG
(CHEMBL3326173)
Show SMILES Oc1ccc(cc1Br)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17BrN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
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n/an/a 270n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067406
PNG
(2'-methylspiro[tetrahydro-1H-pyrrole-3,4'-(1',2',3...)
Show SMILES CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
Show InChI InChI=1S/C11H9N3O4/c1-13-8(16)6-3-2-4-14(6)11(10(13)18)5-7(15)12-9(11)17/h2-4H,5H2,1H3,(H,12,15,17)
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n/an/a 280n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 292n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in human hepatocytes after 15 mins by cAMP dynamic2 assay


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067377
PNG
(2'-(2,4-dimethoxybenzyl)spiro[tetrahydro-1H-pyrrol...)
Show SMILES COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(OC)c1
Show InChI InChI=1S/C19H17N3O6/c1-27-12-6-5-11(14(8-12)28-2)10-21-16(24)13-4-3-7-22(13)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)
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n/an/a 350n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase in porcine lens.


J Med Chem 41: 4118-29 (1998)


Article DOI: 10.1021/jm9802968
BindingDB Entry DOI: 10.7270/Q20V8BXH
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM16501
PNG
((2S)-2-[(2S,3R)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)CC)C(O)=O |r|
Show InChI InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7?,8-,9+,10+,11+,12+/m1/s1
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n/an/a 410n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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