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Compile Data Set for Download or QSAR

Found 6 hits of ki for UniProtKB: P07943   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50451729
PNG
(CHEMBL4206601)
Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O
Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)
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17n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldeh...


Bioorg Med Chem 25: 6353-6360 (2017)


Article DOI: 10.1016/j.bmc.2017.10.005
BindingDB Entry DOI: 10.7270/Q23T9KSK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50080464
PNG
(ALR2 inhibitor, 12 | CHEMBL1405739)
Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12
Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)
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CHEMBL
MCE
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Similars

Article
PubMed
89n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate by double reciprocal plot analysis


J Med Chem 58: 2649-57 (2015)


Article DOI: 10.1021/jm5015814
BindingDB Entry DOI: 10.7270/Q2WS8VZJ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478795
PNG
(CHEMBL476908)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1
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1.05E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478794
PNG
(CHEMBL477942)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1
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1.10E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478795
PNG
(CHEMBL476908)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1
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1.77E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50478794
PNG
(CHEMBL477942)
Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1
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1.79E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate


Bioorg Med Chem 16: 4908-20 (2008)


Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT
More data for this
Ligand-Target Pair