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BDBM50344448 2-(1-(4-chlorobenzyl)-1H-benzo[d]imidazol-2-ylthio)-N'-(4-(diethylamino)benzylidene)acetohydrazide::CHEMBL1780017

SMILES: CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=PYGXSAFIBOLETI-STBIYBPSSA-N

Data: 1 KI  1 IC50

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 = 50344448   
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)
BDBM50344448
PNG
(2-(1-(4-chlorobenzyl)-1H-benzo[d]imidazol-2-ylthio...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H28ClN5OS/c1-3-32(4-2)23-15-11-20(12-16-23)17-29-31-26(34)19-35-27-30-24-7-5-6-8-25(24)33(27)18-21-9-13-22(28)14-10-21/h5-17H,3-4,18-19H2,1-2H3,(H,31,34)/b29-17+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.015
BindingDB Entry DOI: 10.7270/Q24J0FFK
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50344448
PNG
(2-(1-(4-chlorobenzyl)-1H-benzo[d]imidazol-2-ylthio...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H28ClN5OS/c1-3-32(4-2)23-15-11-20(12-16-23)17-29-31-26(34)19-35-27-30-24-7-5-6-8-25(24)33(27)18-21-9-13-22(28)14-10-21/h5-17H,3-4,18-19H2,1-2H3,(H,31,34)/b29-17+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay


Bioorg Med Chem Lett 21: 3335-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.015
BindingDB Entry DOI: 10.7270/Q24J0FFK
More data for this
Ligand-Target Pair