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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Angiotensin-converting enzyme 2 (Homo sapiens (Human)) | BDBM21489![]() ((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | 6.5 | 22 |
Millennium Pharmaceuticals | Assay Description Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission... | J Am Chem Soc 124: 11852-3 (2002) Article DOI: 10.1021/ja0277226 BindingDB Entry DOI: 10.7270/Q2KP80FN | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Angiotensin-converting enzyme 2 (Homo sapiens (Human)) | BDBM21489![]() ((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of ACE2 | Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Angiotensin-Converting Enzyme (Sus scrofa (pig)) | BDBM21489![]() ((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...) | UniProtKB/TrEMBL B.MOAD GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Millennium Pharmaceuticals | Assay Description Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission... | J Am Chem Soc 124: 11852-3 (2002) Article DOI: 10.1021/ja0277226 BindingDB Entry DOI: 10.7270/Q2KP80FN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase A1 (Bos taurus (bovine)) | BDBM21489![]() ((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Millennium Pharmaceuticals | Assay Description Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab... | J Am Chem Soc 124: 11852-3 (2002) Article DOI: 10.1021/ja0277226 BindingDB Entry DOI: 10.7270/Q2KP80FN | |||||||||||
More data for this Ligand-Target Pair |