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BDBM50023017 CHEMBL41231::ethyl 4-[2-(4-ethyloxycarbonylbenzyloxy)-1-(1H-1-imidazolylmethyl)ethoxymethyl]benzoate

SMILES: CCOC(=O)c1ccc(COCC(Cn2ccnc2)OCc2ccc(cc2)C(=O)OCC)cc1

InChI Key: InChIKey=VCSHSSAIOFVZTH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023017   
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50023017
PNG
(CHEMBL41231 | ethyl 4-[2-(4-ethyloxycarbonylbenzyl...)
Show SMILES CCOC(=O)c1ccc(COCC(Cn2ccnc2)OCc2ccc(cc2)C(=O)OCC)cc1
Show InChI InChI=1S/C26H30N2O6/c1-3-32-25(29)22-9-5-20(6-10-22)16-31-18-24(15-28-14-13-27-19-28)34-17-21-7-11-23(12-8-21)26(30)33-4-2/h5-14,19,24H,3-4,15-18H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against intact human platelet TXA2 formation


J Med Chem 30: 1588-95 (1987)


BindingDB Entry DOI: 10.7270/Q20R9NDV
More data for this
Ligand-Target Pair