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BDBM50009814 CHEMBL20220::[4-Oxo-3-(7-trifluoromethyl-benzothiazol-2-ylmethyl)-3,4-dihydro-phthalazin-1-yl]-acetic acid

SMILES: OC(=O)Cc1nn(Cc2nc3cccc(c3s2)C(F)(F)F)c(=O)c2ccccc12

InChI Key: InChIKey=JAOFNJJQKQITIC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50009814   
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))		BDBM50009814
PNG
(CHEMBL20220 | [4-Oxo-3-(7-trifluoromethyl-benzothi...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cccc(c3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)12-6-3-7-13-17(12)29-15(23-13)9-25-18(28)11-5-2-1-4-10(11)14(24-25)8-16(26)27/h1-7H,8-9H2,(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 10n/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)


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