BindingDB logo
myBDB logout

null

SMILES: CC1(C)OC[C@H](N1C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO

InChI Key: InChIKey=RBIJHUWMPSNIIB-SFTDATJTSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50448262   
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 proteinase falcipain 2a


(Plasmodium falciparum)
BDBM50448262
PNG
(CHEMBL3120833)
Show SMILES CC1(C)OC[C@H](N1C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO |r|
Show InChI InChI=1S/C25H30N2O6/c1-25(2)27(24(31)32-16-19-11-7-4-8-12-19)21(17-33-25)23(30)26-20(22(29)15-28)14-13-18-9-5-3-6-10-18/h3-12,20-21,28H,13-17H2,1-2H3,(H,26,30)/t20-,21-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-2


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair
Cysteine proteinase falcipain 3


(Plasmodium falciparum)
BDBM50448262
PNG
(CHEMBL3120833)
Show SMILES CC1(C)OC[C@H](N1C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO |r|
Show InChI InChI=1S/C25H30N2O6/c1-25(2)27(24(31)32-16-19-11-7-4-8-12-19)21(17-33-25)23(30)26-20(22(29)15-28)14-13-18-9-5-3-6-10-18/h3-12,20-21,28H,13-17H2,1-2H3,(H,26,30)/t20-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cysteine protease falcipain-3


Bioorg Med Chem Lett 24: 1274-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.062
BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
More data for this
Ligand-Target Pair