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BDBM50313763 1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(3''-fluoro-4''-methoxyphenyl)-4,5-dihydro-1H pyrazole::CHEMBL1083525

SMILES: COc1ccc(cc1F)C1CC(=NN1C)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=HSKCETLIRMHPBS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313763   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50313763
PNG
(1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(3''-fluo...)
Show SMILES COc1ccc(cc1F)C1CC(=NN1C)c1cc(OC)c(OC)c(OC)c1 |c:12|
Show InChI InChI=1S/C20H23FN2O4/c1-23-16(12-6-7-17(24-2)14(21)8-12)11-15(22-23)13-9-18(25-3)20(27-5)19(10-13)26-4/h6-10,16H,11H2,1-5H3
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70E+5n/an/an/an/an/an/a



University of Calabria

Curated by ChEMBL


Assay Description
Inhibition of ACE in rabbit lung assessed as decrease in dansylglycine concentration after 5 mins by HPLC analysis


Bioorg Med Chem Lett 20: 1990-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.113
BindingDB Entry DOI: 10.7270/Q2G73DW4
More data for this
Ligand-Target Pair