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SMILES: Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2cccnc2)cc1

InChI Key: InChIKey=AYAHEALJNBCPRP-KGVSQERTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12039   
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)		BDBM12039
PNG
(3-(4-chlorophenyl)-1-{4-[(2E)-3-(pyridin-3-yl)prop...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C21H16ClN3O2/c22-17-6-10-19(11-7-17)25-21(27)24-18-8-4-16(5-9-18)20(26)12-3-15-2-1-13-23-14-15/h1-14H,(H2,24,25,27)/b12-3+
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.40E+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