BDBM21489 (2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)methyl]-1H-imidazol-5-yl}ethyl]amino}-4-methylpentanoic acid::2-(1-carboxy-2-(3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl)ethylamino)-4-methylpentanoic acid::CHEMBL429844::MLN 4760::MLN-4760::MLN4760

SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O

InChI Key InChIKey=NTCCRGGIJNDEAB-IRXDYDNUSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 21489   

TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
Millennium Pharmaceuticals

LigandPNGBDBM21489((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...)
Affinity DataIC50:  0.440nMpH: 6.5 T: 2°CAssay Description:Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...More data for this Ligand-Target Pair
TargetCarboxypeptidase A1(Bos taurus (bovine))
Millennium Pharmaceuticals

LigandPNGBDBM21489((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...)
Affinity DataIC50:  2.70E+4nMpH: 7.5 T: 2°CAssay Description:Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Sus scrofa (pig))
Millennium Pharmaceuticals

LigandPNGBDBM21489((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...)
Affinity DataIC50: >1.00E+5nMpH: 7.5 T: 2°CAssay Description:Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
Millennium Pharmaceuticals

LigandPNGBDBM21489((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...)
Affinity DataIC50:  9.80nMAssay Description:Inhibition of recombinant human ACE2 using 7-Mca-YVADAPK (Dnp) as substrate by fluorescence plate reader assayMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
Millennium Pharmaceuticals

LigandPNGBDBM21489((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...)
Affinity DataIC50:  0.440nMAssay Description:Inhibition of ACE2 (unknown origin)More data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Kingston University

Curated by ChEMBL
LigandPNGBDBM21489((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of recombinant human ACE using Mca-RPGFSAFK (Dnp)- OH as substrate by fluorescence plate reader assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
Millennium Pharmaceuticals

LigandPNGBDBM21489((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...)
Affinity DataIC50:  0.440nMAssay Description:Inhibition of ACE2More data for this Ligand-Target Pair