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BDBM50322742 CHEMBL1173694::N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-2-(2-bromophenoxy)acetamide::N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide

SMILES: Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

InChI Key: InChIKey=XWFRNTHGPRGCNS-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50322742   
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
Cruzipain


(Trypanosoma cruzi)
BDBM50322742
PNG
(CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)eth...)
Show SMILES Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

MMDB
PDB
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay


J Med Chem 53: 4891-905 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cruzipain


(Trypanosoma cruzi)
BDBM50322742
PNG
(CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)eth...)
Show SMILES Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins


J Med Chem 57: 2380-92 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)