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BDBM50339250 (Z/E)-(S)-2-((5-chloro-2-oxoindolin-3-ylidene)methylamino)-N-isopentyl-3-phenylpropanamide::CHEMBL1689610

SMILES: CC(C)CCNC(=O)[C@H](Cc1ccccc1)N=CC1C(=O)Nc2ccc(Cl)cc12

InChI Key: InChIKey=RNSCKAVEDDTXTP-QWAKEFERSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50339250   
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
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50339250
PNG
((Z/E)-(S)-2-((5-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1ccccc1)N=CC1C(=O)Nc2ccc(Cl)cc12 |r,w:17.18|
Show InChI InChI=1S/C23H26ClN3O2/c1-15(2)10-11-25-23(29)21(12-16-6-4-3-5-7-16)26-14-19-18-13-17(24)8-9-20(18)27-22(19)28/h3-9,13-15,19,21H,10-12H2,1-2H3,(H,25,29)(H,27,28)/t19?,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339250
PNG
((Z/E)-(S)-2-((5-chloro-2-oxoindolin-3-ylidene)meth...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1ccccc1)N=CC1C(=O)Nc2ccc(Cl)cc12 |r,w:17.18|
Show InChI InChI=1S/C23H26ClN3O2/c1-15(2)10-11-25-23(29)21(12-16-6-4-3-5-7-16)26-14-19-18-13-17(24)8-9-20(18)27-22(19)28/h3-9,13-15,19,21H,10-12H2,1-2H3,(H,25,29)(H,27,28)/t19?,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.33E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair