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Compile Data Set for Download or QSAR

Found 74 hits from Dainippon Pharmaceutical Company, Ltd.   
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
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
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
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
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
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)
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)
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)
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)
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
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)
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
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)
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
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
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50037078
PNG
(2-(Phenyl)-isothiazolo[5,4-b]pyridin-3(2H)-one | 2...)
Show SMILES O=c1n(sc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
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n/an/a 190n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
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
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50056046
PNG
(2-Pyridin-4-yl-isothiazolo[5,4-b]pyridin-3-one | C...)
Show SMILES O=c1n(sc2ncccc12)-c1ccncc1
Show InChI InChI=1S/C11H7N3OS/c15-11-9-2-1-5-13-10(9)16-14(11)8-3-6-12-7-4-8/h1-7H
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n/an/a 220n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
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
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
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
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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n/an/a 370n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 390n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 by 3H ligand binding experiments.


J Med Chem 34: 616-24 (1991)


Article DOI: 10.1021/jm00106a023
BindingDB Entry DOI: 10.7270/Q29887M5
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50056043
PNG
(2-(2,4-Diethoxy-phenylmethanesulfinyl)-N-pyridin-4...)
Show SMILES CCOc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OCC)c1
Show InChI InChI=1S/C22H23N3O4S/c1-3-28-18-8-7-16(20(14-18)29-4-2)15-30(27)22-19(6-5-11-24-22)21(26)25-17-9-12-23-13-10-17/h5-14H,3-4,15H2,1-2H3,(H,23,25,26)
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n/an/a 400n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50056045
PNG
(2-(2-Ethoxy-4-methoxy-phenylmethanesulfinyl)-N-pyr...)
Show SMILES CCOc1cc(OC)ccc1CS(=O)c1ncccc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C21H21N3O4S/c1-3-28-19-13-17(27-2)7-6-15(19)14-29(26)21-18(5-4-10-23-21)20(25)24-16-8-11-22-12-9-16/h4-13H,3,14H2,1-2H3,(H,22,24,25)
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n/an/a 450n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50056041
PNG
(2-(2,4-Dimethoxy-6-methyl-phenylmethanesulfinyl)-N...)
Show SMILES COc1cc(C)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C21H21N3O4S/c1-14-11-16(27-2)12-19(28-3)18(14)13-29(26)21-17(5-4-8-23-21)20(25)24-15-6-9-22-10-7-15/h4-12H,13H2,1-3H3,(H,22,24,25)
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n/an/a 460n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50056049
PNG
(2-Isobutyl-isothiazolo[5,4-b]pyridin-3-one | CHEMB...)
Show SMILES CC(C)Cn1sc2ncccc2c1=O
Show InChI InChI=1S/C10H12N2OS/c1-7(2)6-12-10(13)8-4-3-5-11-9(8)14-12/h3-5,7H,6H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50056056
PNG
(2-(2,4-Dimethoxy-phenylmethanesulfinyl)-N-pyridin-...)
Show SMILES COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C20H19N3O4S/c1-26-16-6-5-14(18(12-16)27-2)13-28(25)20-17(4-3-9-22-20)19(24)23-15-7-10-21-11-8-15/h3-12H,13H2,1-2H3,(H,21,23,24)
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n/an/a 590n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067373
PNG
(CHEMBL337084 | spiro[tetrahydro-1H-pyrrole-3,4'-(1...)
Show SMILES O=C1CC2(C(=O)N1)C(=O)NC(=O)c1cccn21
Show InChI InChI=1S/C10H7N3O4/c14-6-4-10(8(16)11-6)9(17)12-7(15)5-2-1-3-13(5)10/h1-3H,4H2,(H,11,14,16)(H,12,15,17)
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n/an/a 630n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM48320
PNG
(4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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n/an/a 630n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 by 3H ligand binding experiments.


J Med Chem 34: 616-24 (1991)


Article DOI: 10.1021/jm00106a023
BindingDB Entry DOI: 10.7270/Q29887M5
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50067374
PNG
(3-[2-(4-Bromo-2-fluoro-benzyl)-1,3-dioxo-1,2,3,4-t...)
Show SMILES OC(=O)CCC1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cccn12
Show InChI InChI=1S/C17H14BrFN2O4/c18-11-4-3-10(12(19)8-11)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 803n/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
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50056042
PNG
(CHEMBL108285 | N-Pyridin-4-yl-2-(2,4,6-trimethoxy-...)
Show SMILES COc1cc(OC)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C21H21N3O5S/c1-27-15-11-18(28-2)17(19(12-15)29-3)13-30(26)21-16(5-4-8-23-21)20(25)24-14-6-9-22-10-7-14/h4-12H,13H2,1-3H3,(H,22,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50056050
PNG
(2-(Di-p-tolyl-methanesulfinyl)-N-pyridin-4-yl-nico...)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)S(=O)c1ncccc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C26H23N3O2S/c1-18-5-9-20(10-6-18)24(21-11-7-19(2)8-12-21)32(31)26-23(4-3-15-28-26)25(30)29-22-13-16-27-17-14-22/h3-17,24H,1-2H3,(H,27,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
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