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BDBM12032 1-{4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl}-3-(4-chlorophenyl)urea::Phenylurenyl Chalcone deriv. 23

SMILES: Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=XHEJGOZBLJQDOZ-QQDOKKFESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12032   
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
Falcipain-2


(Plasmodium falciparum)
BDBM12032
PNG
(1-{4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H17ClN2O4/c24-17-5-9-19(10-6-17)26-23(28)25-18-7-3-16(4-8-18)20(27)11-1-15-2-12-21-22(13-15)30-14-29-21/h1-13H,14H2,(H2,25,26,28)/b11-1+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair