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8 molecules are shown

Wt: 335.2
BDBM16240
Wt: 393.3
BDBM16242
Wt: 336.2
BDBM16244
Wt: 336.2
BDBM16245
Wt: 306.2
BDBM16246
Wt: 306.2
BDBM16247
Wt: 291.2
BDBM16243
Wt: 291.2
BDBM16248

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 16240,16242,16244,16245,16246,16247,16243,16248   
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))
BDBM16240
PNG
(2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]i...)
Show SMILES OC(=O)CN1C(=O)c2c(c(cc3ccccc23)C(O)=O)S1(=O)=O
Show InChI InChI=1S/C14H9NO7S/c16-10(17)6-15-13(18)11-8-4-2-1-3-7(8)5-9(14(19)20)12(11)23(15,21)22/h1-5H,6H2,(H,16,17)(H,19,20)
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PC sid
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PDB
Article
PubMed
n/an/a 140n/an/an/an/a6.230



University of Marburg



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...


J Mol Biol 369: 186-97 (2007)


Article DOI: 10.1016/j.jmb.2007.03.021
BindingDB Entry DOI: 10.7270/Q2BK19MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16242
PNG
(2-{[4-(carboxymethyl)-3,5,5-trioxo-5-thia-4-azatri...)
Show SMILES OC(=O)COC(=O)c1cc2ccccc2c2C(=O)N(CC(O)=O)S(=O)(=O)c12
Show InChI InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 550n/an/an/an/a6.230



University of Marburg



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...


J Mol Biol 369: 186-97 (2007)


Article DOI: 10.1016/j.jmb.2007.03.021
BindingDB Entry DOI: 10.7270/Q2BK19MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16243
PNG
(2-(3,5,5-trioxo-5-thia-4-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES OC(=O)CN1C(=O)c2c(ccc3ccccc23)S1(=O)=O
Show InChI InChI=1S/C13H9NO5S/c15-11(16)7-14-13(17)12-9-4-2-1-3-8(9)5-6-10(12)20(14,18)19/h1-6H,7H2,(H,15,16)
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UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.00E+4n/an/an/an/a6.230



University of Marburg



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...


J Mol Biol 369: 186-97 (2007)


Article DOI: 10.1016/j.jmb.2007.03.021
BindingDB Entry DOI: 10.7270/Q2BK19MR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16248
PNG
(4-methyl-3,5,5-trioxo-5-thia-4-azatricyclo[7.4.0.0...)
Show SMILES CN1C(=O)c2c(c(cc3ccccc23)C(O)=O)S1(=O)=O
Show InChI InChI=1S/C13H9NO5S/c1-14-12(15)10-8-5-3-2-4-7(8)6-9(13(16)17)11(10)20(14,18)19/h2-6H,1H3,(H,16,17)
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UniProtKB/SwissProt

GoogleScholar
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PC cid
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Article
PubMed
n/an/a 8.80E+4n/an/an/an/a6.230



University of Marburg



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...


J Mol Biol 369: 186-97 (2007)


Article DOI: 10.1016/j.jmb.2007.03.021
BindingDB Entry DOI: 10.7270/Q2BK19MR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16245
PNG
(2-(10-nitro-3,5,5-trioxo-5-thia-4-azatricyclo[7.4....)
Show SMILES OC(=O)CN1C(=O)c2c(ccc3c(cccc23)[N+]([O-])=O)S1(=O)=O
Show InChI InChI=1S/C13H8N2O7S/c16-11(17)6-14-13(18)12-8-2-1-3-9(15(19)20)7(8)4-5-10(12)23(14,21)22/h1-5H,6H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+5n/an/an/an/a6.230



University of Marburg



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...


J Mol Biol 369: 186-97 (2007)


Article DOI: 10.1016/j.jmb.2007.03.021
BindingDB Entry DOI: 10.7270/Q2BK19MR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16246
PNG
(2-(13-amino-3,5,5-trioxo-5-thia-4-azatricyclo[7.4....)
Show SMILES Nc1cccc2ccc3c(C(=O)N(CC(O)=O)S3(=O)=O)c12
Show InChI InChI=1S/C13H10N2O5S/c14-8-3-1-2-7-4-5-9-12(11(7)8)13(18)15(6-10(16)17)21(9,19)20/h1-5H,6,14H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/a6.230



University of Marburg



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...


J Mol Biol 369: 186-97 (2007)


Article DOI: 10.1016/j.jmb.2007.03.021
BindingDB Entry DOI: 10.7270/Q2BK19MR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16247
PNG
(2-(10-amino-3,5,5-trioxo-5-thia-4-azatricyclo[7.4....)
Show SMILES Nc1cccc2c3C(=O)N(CC(O)=O)S(=O)(=O)c3ccc12
Show InChI InChI=1S/C13H10N2O5S/c14-9-3-1-2-8-7(9)4-5-10-12(8)13(18)15(6-11(16)17)21(10,19)20/h1-5H,6,14H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/a6.230



University of Marburg



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...


J Mol Biol 369: 186-97 (2007)


Article DOI: 10.1016/j.jmb.2007.03.021
BindingDB Entry DOI: 10.7270/Q2BK19MR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16244
PNG
(2-(13-nitro-3,5,5-trioxo-5-thia-4-azatricyclo[7.4....)
Show SMILES OC(=O)CN1C(=O)c2c(ccc3cccc([N+]([O-])=O)c23)S1(=O)=O
Show InChI InChI=1S/C13H8N2O7S/c16-10(17)6-14-13(18)12-9(23(14,21)22)5-4-7-2-1-3-8(11(7)12)15(19)20/h1-5H,6H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+5n/an/an/an/a6.230



University of Marburg



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...


J Mol Biol 369: 186-97 (2007)


Article DOI: 10.1016/j.jmb.2007.03.021
BindingDB Entry DOI: 10.7270/Q2BK19MR
More data for this
Ligand-Target Pair