BDBM50322341 CHEMBL1171803::Methyl4-(2-((R)-3-((4-chloro-2-(trifluoromethyl)phenylcarbamoyloxy)methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)-6-methylhept-2-enoate

SMILES COC(=O)/C=C/[C@H](CC(C)C)NC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21

InChI Key InChIKey=MWWJVCKMVKBUFV-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50322341   

TargetCysteine protease(Trypanosoma brucei rhodesiense)
University of Messina

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50322341BDBM50322341(Methyl4-(2-((R)-3-((4-chloro-2-(trifluoromethyl)ph...)
Affinity DataKi:  870nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetFalcipain 2(malaria parasite P. falciparum)
University of Messina

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50322341BDBM50322341(Methyl4-(2-((R)-3-((4-chloro-2-(trifluoromethyl)ph...)
Affinity DataKi:  2.22E+3nMAssay Description:Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 minMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Messina

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50322341BDBM50322341(Methyl4-(2-((R)-3-((4-chloro-2-(trifluoromethyl)ph...)
Affinity DataKi:  3.91E+4nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of Messina

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50322341BDBM50322341(Methyl4-(2-((R)-3-((4-chloro-2-(trifluoromethyl)ph...)
Affinity DataKi: >1.50E+5nMAssay Description:Inhibition of human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed