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BDBM50076289 CHEMBL32997::N-((1S,2S)-3-{(2-Benzo[1,3]dioxol-5-yl-ethyl)-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-amino}-1-benzyl-2-hydroxy-propyl)-4-benzyloxy-3,5-dimethoxy-benzamide

SMILES: COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=JGQASNFJHOIAHV-BCRBLDSWSA-N

Data: 1 KI

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 1 hit for monomerid = 50076289   
Target
(Institution)
LigandTarget
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)
BDBM50076289
PNG
(CHEMBL32997 | N-((1S,2S)-3-{(2-Benzo[1,3]dioxol-5-...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C46H45N3O10/c1-55-40-25-33(26-41(56-2)43(40)57-28-32-13-7-4-8-14-32)44(52)47-36(23-30-11-5-3-6-12-30)37(50)27-48(21-19-31-17-18-38-39(24-31)59-29-58-38)42(51)20-22-49-45(53)34-15-9-10-16-35(34)46(49)54/h3-18,24-26,36-37,50H,19-23,27-29H2,1-2H3,(H,47,52)/t36-,37-/m0/s1
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
MMDB
Article
PubMed
100n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmepsin 2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)