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11 similar compounds to monomer 50009832

Compile data set for download or QSAR
Wt: 275.2
BDBM50009848
Wt: 295.7
BDBM50009849
Wt: 291.2
BDBM50009851
Wt: 340.1
BDBM50009831
Wt: 262.2
BDBM50009835
Wt: 275.2
BDBM50009836
Wt: 275.2
BDBM50009838
Wt: 247.2
BDBM50009840
Wt: 311.3
BDBM50009843
Wt: 330.1
BDBM50009845
Wt: 295.7
BDBM50009846

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50009848,50009849,50009851,50009831,50009835,50009836,50009838,50009840,50009843,50009845,50009846   
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 (AR)


(Homo sapiens (Human))
BDBM50009831
PNG
(1-(4-Bromo-benzyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(Br)cc2)C(=O)C1=O
Show InChI InChI=1S/C14H14BrNO4/c1-2-20-14(19)11-8-16(13(18)12(11)17)7-9-3-5-10(15)6-4-9/h3-6,11H,2,7-8H2,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009835
PNG
(4-Hydroxy-5-oxo-1-pyridin-4-ylmethyl-2,5-dihydro-1...)
Show SMILES CCOC(=O)C1CN(Cc2ccncc2)C(=O)C1=O
Show InChI InChI=1S/C13H14N2O4/c1-2-19-13(18)10-8-15(12(17)11(10)16)7-9-3-5-14-6-4-9/h3-6,10H,2,7-8H2,1H3
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009836
PNG
(4-Hydroxy-5-oxo-1-(1-phenyl-ethyl)-2,5-dihydro-1H-...)
Show SMILES CCOC(=O)C1CN([C@@H](C)c2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO4/c1-3-20-15(19)12-9-16(14(18)13(12)17)10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12?/m0/s1
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009838
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO4/c1-2-8-20-15(19)12-10-16(14(18)13(12)17)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009840
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES COC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C13H13NO4/c1-18-13(17)10-8-14(12(16)11(10)15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009851
PNG
(4-Hydroxy-1-(4-methoxy-benzyl)-5-oxo-2,5-dihydro-1...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(OC)cc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO5/c1-3-21-15(19)12-9-16(14(18)13(12)17)8-10-4-6-11(20-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009845
PNG
(1-(3,4-Dichloro-benzyl)-4-hydroxy-5-oxo-2,5-dihydr...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O
Show InChI InChI=1S/C14H13Cl2NO4/c1-2-21-14(20)9-7-17(13(19)12(9)18)6-8-3-4-10(15)11(16)5-8/h3-5,9H,2,6-7H2,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009846
PNG
(1-(2-Chloro-benzyl)-4-hydroxy-5-oxo-2,5-dihydro-1H...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2Cl)C(=O)C1=O
Show InChI InChI=1S/C14H14ClNO4/c1-2-20-14(19)10-8-16(13(18)12(10)17)7-9-5-3-4-6-11(9)15/h3-6,10H,2,7-8H2,1H3
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009848
PNG
(4-Hydroxy-5-oxo-1-(1-phenyl-ethyl)-2,5-dihydro-1H-...)
Show SMILES CCOC(=O)C1CN([C@H](C)c2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C15H17NO4/c1-3-20-15(19)12-9-16(14(18)13(12)17)10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12?/m1/s1
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 840n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009849
PNG
(1-(4-Chloro-benzyl)-4-hydroxy-5-oxo-2,5-dihydro-1H...)
Show SMILES CCOC(=O)C1CN(Cc2ccc(Cl)cc2)C(=O)C1=O
Show InChI InChI=1S/C14H14ClNO4/c1-2-20-14(19)11-8-16(13(18)12(11)17)7-9-3-5-10(15)6-4-9/h3-6,11H,2,7-8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009835
PNG
(4-Hydroxy-5-oxo-1-pyridin-4-ylmethyl-2,5-dihydro-1...)
Show SMILES CCOC(=O)C1CN(Cc2ccncc2)C(=O)C1=O
Show InChI InChI=1S/C13H14N2O4/c1-2-19-13(18)10-8-15(12(17)11(10)16)7-9-3-5-14-6-4-9/h3-6,10H,2,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Percent inhibition of sorbitol accumulation in rat lens was measured


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009843
PNG
(4-Hydroxy-1-naphthalen-1-ylmethyl-5-oxo-2,5-dihydr...)
Show SMILES CCOC(=O)C1CN(Cc2cccc3ccccc23)C(=O)C1=O
Show InChI InChI=1S/C18H17NO4/c1-2-23-18(22)15-11-19(17(21)16(15)20)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15H,2,10-11H2,1H3
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental aldose reductase.


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair