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PDB code 4XZH

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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

  (269/315 = 85%)†
(Rattus norvegicus)		BDBM50056527
PNG
(CHEMBL161556 | [3-(4-Chloro-3-nitro-benzyl)-2,4-di...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C13H10ClN3O6/c14-9-2-1-8(5-10(9)17(22)23)6-16-11(18)3-4-15(13(16)21)7-12(19)20/h1-5H,6-7H2,(H,19,20)
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n/an/a 25n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat lens aldose reductase(AR).

J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output