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BDBM50074428 CHEMBL3409895

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1

InChI Key: InChIKey=HTFXBFQTZJSOMM-NZNLCOKDNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074428   
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)
BDBM50074428
PNG
(CHEMBL3409895)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1
Show InChI InChI=1/C39H52FN7O5/c1-25(2)20-32(43-37(49)33(21-26(3)4)45-39(51)46-17-8-5-9-18-46)36(48)44-34(22-27-23-42-31-11-7-6-10-30(27)31)38(50)47-19-16-41-35(47)24-52-29-14-12-28(40)13-15-29/h6-7,10-15,23,25-26,32-34,42H,5,8-9,16-22,24H2,1-4H3,(H,43,49)(H,44,48)(H,45,51)/t32-,33-,34-/s2
PDB
MMDB

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PC sid
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Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay


Bioorg Med Chem 23: 2221-40 (2015)

More data for this
Ligand-Target Pair