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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'matsumoto' and Initial = 'j'   
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
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008612
PNG
(CHEMBL154588 | Sodium; 3-(2-mercaptomethyl-3-pheny...)
Show SMILES [O-]S(=O)(=O)c1cccc(NC(=O)C(CS)Cc2ccccc2)c1
Show InChI InChI=1S/C16H17NO4S2/c18-16(13(11-22)9-12-5-2-1-3-6-12)17-14-7-4-8-15(10-14)23(19,20)21/h1-8,10,13,22H,9,11H2,(H,17,18)(H,19,20,21)/p-1
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n/an/a 0.270n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008616
PNG
(CHEMBL157625 | Sodium; 2-(2-mercaptomethyl-3-pheny...)
Show SMILES [O-]S(=O)(=O)CCNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H17NO4S2/c14-12(13-6-7-19(15,16)17)11(9-18)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,13,14)(H,15,16,17)/p-1/t11-/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008595
PNG
(CHEMBL351330 | Sodium; 4-(2-mercaptomethyl-4-methy...)
Show SMILES CC(C)CC(CS)C(=O)Nc1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C13H19NO4S2/c1-9(2)7-10(8-19)13(15)14-11-3-5-12(6-4-11)20(16,17)18/h3-6,9-10,19H,7-8H2,1-2H3,(H,14,15)(H,16,17,18)/p-1
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n/an/a 0.900n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008602
PNG
(CHEMBL435444 | Sodium; 4-(2-mercaptomethyl-3-p-tol...)
Show SMILES Cc1ccc(CC(CS)C(=O)Nc2ccc(cc2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C17H19NO4S2/c1-12-2-4-13(5-3-12)10-14(11-23)17(19)18-15-6-8-16(9-7-15)24(20,21)22/h2-9,14,23H,10-11H2,1H3,(H,18,19)(H,20,21,22)/p-1
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n/an/a 1.10n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008605
PNG
(CHEMBL157663 | Sodium; 2-(2-mercaptomethyl-3-pheny...)
Show SMILES [O-]S(=O)(=O)CCNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H17NO4S2/c14-12(13-6-7-19(15,16)17)11(9-18)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,13,14)(H,15,16,17)/p-1
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n/an/a 1.5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008590
PNG
(CHEMBL154774 | Sodium; 4-(2-mercaptomethyl-3-pheny...)
Show SMILES [O-]S(=O)(=O)c1ccc(NC(=O)C(CS)Cc2ccccc2)cc1
Show InChI InChI=1S/C16H17NO4S2/c18-16(13(11-22)10-12-4-2-1-3-5-12)17-14-6-8-15(9-7-14)23(19,20)21/h1-9,13,22H,10-11H2,(H,17,18)(H,19,20,21)/p-1
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n/an/a 1.70n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008603
PNG
((2-Mercaptomethyl-3-phenyl-propionylamino)-methane...)
Show SMILES OS(=O)(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C11H15NO4S2/c13-11(12-8-18(14,15)16)10(7-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,12,13)(H,14,15,16)
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n/an/a 2.20n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008591
PNG
(CHEMBL346587 | Sodium; 3-(2-mercaptomethyl-4-methy...)
Show SMILES CC(C)CC(CS)C(=O)Nc1cccc(c1)S([O-])(=O)=O
Show InChI InChI=1S/C13H19NO4S2/c1-9(2)6-10(8-19)13(15)14-11-4-3-5-12(7-11)20(16,17)18/h3-5,7,9-10,19H,6,8H2,1-2H3,(H,14,15)(H,16,17,18)/p-1
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n/an/a 2.40n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008599
PNG
(CHEMBL155953 | Sodium; 3-(2-mercaptomethyl-3-p-tol...)
Show SMILES Cc1ccc(CC(CS)C(=O)Nc2cccc(c2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C17H19NO4S2/c1-12-5-7-13(8-6-12)9-14(11-23)17(19)18-15-3-2-4-16(10-15)24(20,21)22/h2-8,10,14,23H,9,11H2,1H3,(H,18,19)(H,20,21,22)/p-1
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n/an/a 2.5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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n/an/a 2.60n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008618
PNG
(CHEMBL155417 | Sodium; 2-(2-mercaptomethyl-3-p-tol...)
Show SMILES Cc1ccc(CC(CS)C(=O)NCCS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H19NO4S2/c1-10-2-4-11(5-3-10)8-12(9-19)13(15)14-6-7-20(16,17)18/h2-5,12,19H,6-9H2,1H3,(H,14,15)(H,16,17,18)/p-1
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n/an/a 3.10n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008589
PNG
(CHEMBL155783 | Sodium; 4-[2-mercaptomethyl-3-(4-me...)
Show SMILES COc1ccc(CC(CS)C(=O)Nc2ccc(cc2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C17H19NO5S2/c1-23-15-6-2-12(3-7-15)10-13(11-24)17(19)18-14-4-8-16(9-5-14)25(20,21)22/h2-9,13,24H,10-11H2,1H3,(H,18,19)(H,20,21,22)/p-1
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n/an/a 3.20n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008623
PNG
(CHEMBL440183 | Sodium; 2-[3-(4-fluoro-phenyl)-2-me...)
Show SMILES [O-]S(=O)(=O)CCNC(=O)C(CS)Cc1ccc(F)cc1
Show InChI InChI=1S/C12H16FNO4S2/c13-11-3-1-9(2-4-11)7-10(8-19)12(15)14-5-6-20(16,17)18/h1-4,10,19H,5-8H2,(H,14,15)(H,16,17,18)/p-1
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n/an/a 3.5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008600
PNG
(CHEMBL156374 | Sodium; 2-(2-mercaptomethyl-3-pheny...)
Show SMILES [O-]S(=O)(=O)CCNC(=O)[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H17NO4S2/c14-12(13-6-7-19(15,16)17)11(9-18)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,13,14)(H,15,16,17)/p-1/t11-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008609
PNG
(CHEMBL347390 | Sodium; 2-[2-mercaptomethyl-3-(4-me...)
Show SMILES COc1ccc(CC(CS)C(=O)NCCS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H19NO5S2/c1-19-12-4-2-10(3-5-12)8-11(9-20)13(15)14-6-7-21(16,17)18/h2-5,11,20H,6-9H2,1H3,(H,14,15)(H,16,17,18)/p-1
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n/an/a 4.40n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008622
PNG
(CHEMBL158345 | Sodium; 4-[3-(4-fluoro-phenyl)-2-me...)
Show SMILES [O-]S(=O)(=O)c1ccc(NC(=O)C(CS)Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H16FNO4S2/c17-13-3-1-11(2-4-13)9-12(10-23)16(19)18-14-5-7-15(8-6-14)24(20,21)22/h1-8,12,23H,9-10H2,(H,18,19)(H,20,21,22)/p-1
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n/an/a 5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008607
PNG
(CHEMBL154766 | Sodium; 2-(2-mercaptomethyl-4-methy...)
Show SMILES CC(C)CC(CS)C(=O)NCCS([O-])(=O)=O
Show InChI InChI=1S/C9H19NO4S2/c1-7(2)5-8(6-15)9(11)10-3-4-16(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,10,11)(H,12,13,14)/p-1
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n/an/a 5.20n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008620
PNG
(CHEMBL156012 | Sodium; 3-(2-mercaptomethyl-3-pheny...)
Show SMILES [O-]S(=O)(=O)CCCNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C13H19NO4S2/c15-13(14-7-4-8-20(16,17)18)12(10-19)9-11-5-2-1-3-6-11/h1-3,5-6,12,19H,4,7-10H2,(H,14,15)(H,16,17,18)/p-1
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n/an/a 5.40n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008610
PNG
(CHEMBL156013 | Sodium; 4-(2-mercaptomethyl-3-pheny...)
Show SMILES [O-]S(=O)(=O)c1ccc(NC(=O)C(CS)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H19NO4S2/c22-20(15(13-26)12-14-6-2-1-3-7-14)21-18-10-11-19(27(23,24)25)17-9-5-4-8-16(17)18/h1-11,15,26H,12-13H2,(H,21,22)(H,23,24,25)/p-1
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n/an/a 7.40n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008597
PNG
(CHEMBL156099 | Sodium; 2-(2-mercaptomethyl-3-napht...)
Show SMILES [O-]S(=O)(=O)CCNC(=O)C(CS)Cc1cccc2ccccc12
Show InChI InChI=1S/C16H19NO4S2/c18-16(17-8-9-23(19,20)21)14(11-22)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,22H,8-11H2,(H,17,18)(H,19,20,21)/p-1
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n/an/a 8.40n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-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 9.80n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 2 receptor by 3H ligand binding experiments.


J Med Chem 34: 616-24 (1991)


BindingDB Entry DOI: 10.7270/Q29887M5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008613
PNG
(CHEMBL157079 | Sodium; 4-[(2-mercaptomethyl-3-phen...)
Show SMILES [O-]S(=O)(=O)c1ccc(CNC(=O)C(CS)Cc2ccccc2)cc1
Show InChI InChI=1S/C17H19NO4S2/c19-17(15(12-23)10-13-4-2-1-3-5-13)18-11-14-6-8-16(9-7-14)24(20,21)22/h1-9,15,23H,10-12H2,(H,18,19)(H,20,21,22)/p-1
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n/an/a 11n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008615
PNG
(2-(2-Mercaptomethyl-5-phenyl-pentanoylamino)-ethan...)
Show SMILES OS(=O)(=O)CCNC(=O)C(CS)CCCc1ccccc1
Show InChI InChI=1S/C14H21NO4S2/c16-14(15-9-10-21(17,18)19)13(11-20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,20H,4,7-11H2,(H,15,16)(H,17,18,19)
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n/an/a 11n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008617
PNG
(CHEMBL156757 | Sodium; 4-(3-benzo[d]isoxazol-3-yl-...)
Show SMILES [O-]S(=O)(=O)c1ccc(NC(=O)C(CS)Cc2noc3ccccc23)cc1
Show InChI InChI=1S/C17H16N2O5S2/c20-17(18-12-5-7-13(8-6-12)26(21,22)23)11(10-25)9-15-14-3-1-2-4-16(14)24-19-15/h1-8,11,25H,9-10H2,(H,18,20)(H,21,22,23)/p-1
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n/an/a 12n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008596
PNG
(CHEMBL154368 | Sodium; 4-[2-mercaptomethyl-3-(4-ni...)
Show SMILES [O-][N+](=O)c1ccc(CC(CS)C(=O)Nc2ccc(cc2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C16H16N2O6S2/c19-16(17-13-3-7-15(8-4-13)26(22,23)24)12(10-25)9-11-1-5-14(6-2-11)18(20)21/h1-8,12,25H,9-10H2,(H,17,19)(H,22,23,24)/p-1
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n/an/a 14n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008606
PNG
(CHEMBL155779 | Sodium; 4-[3-(4-dimethylamino-pheny...)
Show SMILES CN(C)c1ccc(CC(CS)C(=O)Nc2ccc(cc2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C18H22N2O4S2/c1-20(2)16-7-3-13(4-8-16)11-14(12-25)18(21)19-15-5-9-17(10-6-15)26(22,23)24/h3-10,14,25H,11-12H2,1-2H3,(H,19,21)(H,22,23,24)/p-1
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n/an/a 14n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008621
PNG
(CHEMBL422339 | Sodium; 2-[2-mercaptomethyl-3-(4-ni...)
Show SMILES [O-][N+](=O)c1ccc(CC(CS)C(=O)NCCS([O-])(=O)=O)cc1
Show InChI InChI=1S/C12H16N2O6S2/c15-12(13-5-6-22(18,19)20)10(8-21)7-9-1-3-11(4-2-9)14(16)17/h1-4,10,21H,5-8H2,(H,13,15)(H,18,19,20)/p-1
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n/an/a 17n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008592
PNG
(CHEMBL347040 | Sodium; 1-(2-mercaptomethyl-3-pheny...)
Show SMILES CC(NC(=O)C(CS)Cc1ccccc1)S([O-])(=O)=O
Show InChI InChI=1S/C12H17NO4S2/c1-9(19(15,16)17)13-12(14)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,13,14)(H,15,16,17)/p-1
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n/an/a 31n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008614
PNG
(4-(2-Mercaptomethyl-3-pyridin-3-yl-propionylamino)...)
Show SMILES OS(=O)(=O)c1ccc(NC(=O)C(CS)Cc2cccnc2)cc1
Show InChI InChI=1S/C15H16N2O4S2/c18-15(12(10-22)8-11-2-1-7-16-9-11)17-13-3-5-14(6-4-13)23(19,20)21/h1-7,9,12,22H,8,10H2,(H,17,18)(H,19,20,21)
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n/an/a 33n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008604
PNG
(CHEMBL155070 | Sodium; 4-(2-mercaptomethyl-3-napht...)
Show SMILES [O-]S(=O)(=O)c1ccc(NC(=O)C(CS)Cc2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H19NO4S2/c22-20(21-17-8-10-18(11-9-17)27(23,24)25)16(13-26)12-15-6-3-5-14-4-1-2-7-19(14)15/h1-11,16,26H,12-13H2,(H,21,22)(H,23,24,25)/p-1
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n/an/a 34n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008611
PNG
(CHEMBL422165 | Sodium; 2-[3-(4-dimethylamino-pheny...)
Show SMILES CN(C)c1ccc(CC(CS)C(=O)NCCS([O-])(=O)=O)cc1
Show InChI InChI=1S/C14H22N2O4S2/c1-16(2)13-5-3-11(4-6-13)9-12(10-21)14(17)15-7-8-22(18,19)20/h3-6,12,21H,7-10H2,1-2H3,(H,15,17)(H,18,19,20)/p-1
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n/an/a 37n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Neprilysin


(Rattus norvegicus (Rat))
BDBM50008598
PNG
(CHEMBL422526 | Sodium; 4-(3-biphenyl-4-yl-2-mercap...)
Show SMILES [O-]S(=O)(=O)c1ccc(NC(=O)C(CS)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H21NO4S2/c24-22(23-20-10-12-21(13-11-20)29(25,26)27)19(15-28)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,19,28H,14-15H2,(H,23,24)(H,25,26,27)/p-1
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n/an/a 52n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
Aldo-keto reductase family 1 member B1


(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
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