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BDBM50074212 CHEMBL3409898

SMILES: CC(C)C[C@H](NC(=O)CN1CCN(C)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1

InChI Key: InChIKey=NJDLLZRQAZRBKS-IMKBVMFZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074212   
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)		BDBM50074212
PNG
(CHEMBL3409898)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(C)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 |r,c:46|
Show InChI InChI=1S/C40H55FN8O5/c1-26(2)20-33(44-37(50)24-48-18-16-47(5)17-19-48)38(51)45-34(21-27(3)4)39(52)46-35(22-28-23-43-32-9-7-6-8-31(28)32)40(53)49-15-14-42-36(49)25-54-30-12-10-29(41)11-13-30/h6-13,23,26-27,33-35,43H,14-22,24-25H2,1-5H3,(H,44,50)(H,45,51)(H,46,52)/t33-,34-,35-/m0/s1
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.06E+4n/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)


Article DOI: 10.1016/j.bmc.2015.02.062
BindingDB Entry DOI: 10.7270/Q25T3N64
More data for this
Ligand-Target Pair