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PubMed code 24780598

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Aldose reductase


(Rattus norvegicus)
BDBM50015589
PNG
(CHEMBL3260160)
Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=S)NC1CCCCC1
Show InChI InChI=1S/C30H35N5O2S2/c1-34(2)25-15-13-22(14-16-25)28-21-29(23-9-5-3-6-10-23)35(32-28)26-17-19-27(20-18-26)39(36,37)33-30(38)31-24-11-7-4-8-12-24/h3,5-6,9-10,13-20,24,29H,4,7-8,11-12,21H2,1-2H3,(H2,31,33,38)
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015588
PNG
(CHEMBL3260158)
Show SMILES CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C28H32ClN5O2S2/c1-4-5-18-30-28(37)32-38(35,36)25-16-14-24(15-17-25)34-27(21-6-10-22(29)11-7-21)19-26(31-34)20-8-12-23(13-9-20)33(2)3/h6-17,27H,4-5,18-19H2,1-3H3,(H2,30,32,37)
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n/an/a 18n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015587
PNG
(CHEMBL3260157)
Show SMILES CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C28H33N5O2S2/c1-4-5-19-29-28(36)31-37(34,35)25-17-15-24(16-18-25)33-27(22-9-7-6-8-10-22)20-26(30-33)21-11-13-23(14-12-21)32(2)3/h6-18,27H,4-5,19-20H2,1-3H3,(H2,29,31,36)
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n/an/a 43n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015585
PNG
(CHEMBL3259823)
Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccc(C)cc1)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1
Show InChI InChI=1S/C32H33N5O2S2/c1-23-9-11-26(12-10-23)31-21-30(25-13-15-27(16-14-25)36(2)3)34-37(31)28-17-19-29(20-18-28)41(38,39)35-32(40)33-22-24-7-5-4-6-8-24/h4-20,31H,21-22H2,1-3H3,(H2,33,35,40)
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n/an/a 70n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015586
PNG
(CHEMBL3260155)
Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1
Show InChI InChI=1S/C31H30ClN5O2S2/c1-36(2)24-14-12-23(13-15-24)29-20-30(27-10-6-7-11-28(27)32)37(34-29)25-16-18-26(19-17-25)41(38,39)35-31(40)33-21-22-8-4-3-5-9-22/h3-19,30H,20-21H2,1-2H3,(H2,33,35,40)
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n/an/a 85n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015584
PNG
(CHEMBL3260152)
Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1
Show InChI InChI=1S/C31H31N5O2S2/c1-35(2)26-15-13-24(14-16-26)29-21-30(25-11-7-4-8-12-25)36(33-29)27-17-19-28(20-18-27)40(37,38)34-31(39)32-22-23-9-5-3-6-10-23/h3-20,30H,21-22H2,1-2H3,(H2,32,34,39)
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n/an/a 90n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%