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PubMed code 28802633

Compile data set for download or QSAR
Found 2 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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50260962
PNG
(CHEMBL4075185)
Show SMILES CC(=O)Oc1cc(-c2ccccc2)n(c1)C(C)=O
Show InChI InChI=1S/C14H13NO3/c1-10(16)15-9-13(18-11(2)17)8-14(15)12-6-4-3-5-7-12/h3-9H,1-2H3
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PC sid
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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Center for Pharmacological Evaluation and Research, Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North Road, Shanghai 200437, PR China; Changchun BC&HC Pharmaceutical Technology

Curated by ChEMBL


Assay Description
Inhibition of AR in Sprague-Dawley rat lens using DL-glyceraldehyde as substrate by spectrophotometric analysis


Bioorg Med Chem Lett 27: 4482-4487 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.002
BindingDB Entry DOI: 10.7270/Q2HX1G4J
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Center for Pharmacological Evaluation and Research, Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North Road, Shanghai 200437, PR China; Changchun BC&HC Pharmaceutical Technology

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (unknown origin)


Bioorg Med Chem Lett 27: 4482-4487 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.002
BindingDB Entry DOI: 10.7270/Q2HX1G4J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%