Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 4 | -49.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
CNRS | Assay Description NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp... | J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neprilysin (Homo sapiens (Human)) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibition of recombinant human neprilysin(NEP). | Bioorg Med Chem Lett 6: 2437-2440 (1996) Article DOI: 10.1016/0960-894X(96)00448-9 BindingDB Entry DOI: 10.7270/Q2JS9QD0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neprilysin (Rattus norvegicus (Rat)) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney | J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Angiotensin-converting enzyme (Rattus norvegicus) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS | Assay Description Specific activity of ACE was assayed in black 96-well microplates with or without various concentrations of inhibitors. N-Cbz-Phe-His-Leu was added, ... | J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thermolysin (Bacillus thermoproteolyticus) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Inhibitory constant against thermolysin. | J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thermolysin (Bacillus thermoproteolyticus) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Marburg Curated by ChEMBL | Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L) | J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endothelin-converting enzyme 1 (Homo sapiens (Human)) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS | Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa... | J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Type-1 angiotensin II receptor (Homo sapiens (Human)) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma US Inc. Curated by ChEMBL | Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA | ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human)) | BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+5 | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads | Assay Description Inhibitory assay against ECE-2. | J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K | |||||||||||
More data for this Ligand-Target Pair |