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BDBM50006459 CHEMBL304995::[3-(5,7-Difluoro-benzothiazol-2-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro-phthalazin-1-yl]-acetic acid

SMILES: OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2CCCCc12

InChI Key: InChIKey=QJZIGPVOTXIJRK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006459   
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))		BDBM50006459
PNG
(CHEMBL304995 | [3-(5,7-Difluoro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2CCCCc12
Show InChI InChI=1S/C18H15F2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h5-6H,1-4,7-8H2,(H,24,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 2155-62 (1992)


BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair