BDBM50303320 (S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-2-(3-phenyl-isoxazol-5-ylmethyl)-propionylamino]-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL570953
SMILES: OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChI Key: InChIKey=ZPFSKFCSVXPMBD-PFESQZPFSA-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 (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL | Assay Description Inhibition of human somatic ACE C-terminal domain | J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology Curated by ChEMBL | Assay Description Inhibition of human ACE C-terminal domain expressed in CHO cells after 90 mins by fluorescence assay | J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL | Assay Description Inhibition of human somatic ACE in presence of buffer | J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL | Assay Description Inhibition of human somatic ACE in presence of 1:100 diluted SHR rat plasma | J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL | Assay Description Inhibition of human somatic ACE in presence of 1:50 diluted SHR rat plasma | J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL | Assay Description Inhibition of human somatic ECE1 | J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL | Assay Description Inhibition of human somatic ACE in presence of 1:100 diluted SHR rat plasma complemented with 5 uM serum albumin | J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology Curated by ChEMBL | Assay Description Inhibition of human ACE N-terminal domain expressed in CHO cells after 90 mins by fluorescence assay | J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL | Assay Description Inhibition of human MMP13 | J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL | Assay Description Inhibition of human somatic NEP | J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Homo sapiens (Human)) | BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology Curated by ChEMBL | Assay Description Inhibition of NEP | J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF | |||||||||||
More data for this Ligand-Target Pair |