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BDBM50209554 (R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-((2S,3S)-2-hydroxy-3-((R)-2-(2-(3-hydroxyphenyl)acetamido)-3-(methylthio)propanamido)-4-phenylbutanoyl)-5,5-dimethylthiazolidine-4-carboxamide::CHEMBL230510::KNI-10342

SMILES: CSC[C@H](NC(=O)Cc1cccc(O)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=RBPFZWDTXSAZMR-ACUZRORGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209554   
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
Plasmepsin 2


(Plasmodium falciparum)
BDBM50209554
PNG
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)
Show SMILES CSC[C@H](NC(=O)Cc1cccc(O)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H44N4O7S2/c1-37(2)33(35(47)40-31-26-15-8-7-13-24(26)19-29(31)43)41(21-50-37)36(48)32(45)27(17-22-10-5-4-6-11-22)39-34(46)28(20-49-3)38-30(44)18-23-12-9-14-25(42)16-23/h4-16,27-29,31-33,42-43,45H,17-21H2,1-3H3,(H,38,44)(H,39,46)(H,40,47)/t27-,28-,29+,31-,32-,33+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2


Bioorg Med Chem Lett 17: 3048-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ
More data for this
Ligand-Target Pair