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BDBM50074143 CHEMBL3409902

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)N1CCC[C@H]1COc1ccc(F)cc1

InChI Key: InChIKey=HBWWWEUVHSVZIM-KCRDCSJDNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074143   
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)
BDBM50074143
PNG
(CHEMBL3409902)
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)N1CCC[C@H]1COc1ccc(F)cc1
Show InChI InChI=1/C40H55FN6O5/c1-26(2)21-34(43-38(49)35(22-27(3)4)45-40(51)46-18-8-5-9-19-46)37(48)44-36(23-28-24-42-33-13-7-6-12-32(28)33)39(50)47-20-10-11-30(47)25-52-31-16-14-29(41)15-17-31/h6-7,12-17,24,26-27,30,34-36,42H,5,8-11,18-23,25H2,1-4H3,(H,43,49)(H,44,48)(H,45,51)/t30-,34-,35-,36-/s2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
400n/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