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BDBM234502 US9353089, 135

SMILES: CN1C(=N)NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=PNSQCPQDRVOKMA-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 234502   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM234502
PNG
(US9353089, 135)
Show SMILES CN1C(=N)NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 1.68E+3n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasmepsin 2


(Plasmodium falciparum)
BDBM234502
PNG
(US9353089, 135)
Show SMILES CN1C(=N)NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 1.01E+3n/an/an/an/a4.525



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair