BindingDB logo
myBDB logout

BDBM50009800 CHEMBL20884::[3-(6-Hydroxy-5-trifluoromethyl-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid

SMILES: OC(=O)Cc1nn(Cc2nc3cc(c(O)cc3s2)C(F)(F)F)c(=O)c2ccccc12

InChI Key: InChIKey=XPQLLXHISGLZKA-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 = 50009800   
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))
BDBM50009800
PNG
(CHEMBL20884 | [3-(6-Hydroxy-5-trifluoromethyl-benz...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(c(O)cc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O4S/c20-19(21,22)11-5-13-15(7-14(11)26)30-16(23-13)8-25-18(29)10-4-2-1-3-9(10)12(24-25)6-17(27)28/h1-5,7,26H,6,8H2,(H,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair