BindingDB logo
myBDB logout

BDBM50008472 CHEMBL342887::{3-[3-(2-Chloro-phenyl)-[1,2,4]thiadiazol-5-ylmethyl]-4-oxo-3,4-dihydro-phthalazin-1-yl}-acetic acid

SMILES: OC(=O)Cc1nn(Cc2nc(ns2)-c2ccccc2Cl)c(=O)c2ccccc12

InChI Key: InChIKey=LBVJNFKMQNWJIU-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008472   
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))		BDBM50008472
PNG
(CHEMBL342887 | {3-[3-(2-Chloro-phenyl)-[1,2,4]thia...)
Show SMILES OC(=O)Cc1nn(Cc2nc(ns2)-c2ccccc2Cl)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13ClN4O3S/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair