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SMILES: CN(C)CCOc1cc2ccc(OC3=CC(=O)c4cc5ccccc5cc4C3=O)cc2oc1=O

InChI Key: InChIKey=AAPCCFKPWCMSMT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50278487   
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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50278487
PNG
(CHEMBL3585376)
Show SMILES CN(C)CCOc1cc2ccc(OC3=CC(=O)c4cc5ccccc5cc4C3=O)cc2oc1=O |t:13|
Show InChI InChI=1S/C27H21NO6/c1-28(2)9-10-32-25-13-18-7-8-19(14-23(18)34-27(25)31)33-24-15-22(29)20-11-16-5-3-4-6-17(16)12-21(20)26(24)30/h3-8,11-15H,9-10H2,1-2H3
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KEGG

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PC cid
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Similars
Article
PubMed
 2.30E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 125-I echistatin from Vitronectin receptor (alpha v beta3)

Eur J Med Chem 141: 138-148 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.005
BindingDB Entry DOI: 10.7270/Q2JD50B3
More data for this
Ligand-Target Pair