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BDBM50074139 CHEMBL3409906

SMILES: COC(=O)C1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2COc2ccc(F)cc2)CC1

InChI Key: InChIKey=AGCVFRJXTWWEKP-PXXTXDRWNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074139   
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)
BDBM50074139
PNG
(CHEMBL3409906)
Show SMILES COC(=O)C1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2COc2ccc(F)cc2)CC1
Show InChI InChI=1/C43H59FN6O7/c1-27(2)21-36(46-39(51)25-49-19-16-29(17-20-49)43(55)56-5)40(52)47-37(22-28(3)4)41(53)48-38(23-30-24-45-35-11-7-6-10-34(30)35)42(54)50-18-8-9-32(50)26-57-33-14-12-31(44)13-15-33/h6-7,10-15,24,27-29,32,36-38,45H,8-9,16-23,25-26H2,1-5H3,(H,46,51)(H,47,52)(H,48,53)/t32-,36-,37-,38-/s2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60E+3n/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