BDBM50105264 2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-propionic acid anion
SMILES: C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
InChI Key: InChIKey=OJCFZTVYDSKXNM-GXSJLCMTSA-M
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neprilysin (Homo sapiens (Human)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP) | J Med Chem 44: 3523-30 (2001) BindingDB Entry DOI: 10.7270/Q2QN67HK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description 50% inhibitory activity against enkephalinase purified from rat kidney with [3H]D-Ala2-Leu-enkephalin (20 nM) as substrate. | J Med Chem 28: 1158-69 (1985) BindingDB Entry DOI: 10.7270/Q20C4WB5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aminopeptidase N (Sus scrofa (Pig)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate | J Med Chem 28: 1158-69 (1985) BindingDB Entry DOI: 10.7270/Q20C4WB5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukotriene A4 hydrolase (Homo sapiens (Human)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PDB Article | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against LTA 4 hydrolase in aminopeptidase assay | Bioorg Med Chem Lett 5: 2517-2522 (1995) Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Leukotriene A4 hydrolase (Homo sapiens (Human)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PDB Article | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against LTA 4 hydrolase in epoxide hydrolase assay | Bioorg Med Chem Lett 5: 2517-2522 (1995) Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aminopeptidase N (Homo sapiens (Human)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Compound was evaluated for inhibition of enkephalin degrading enzyme, aminopeptidase N(APN) | J Med Chem 44: 3523-30 (2001) BindingDB Entry DOI: 10.7270/Q2QN67HK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against Leu-enkeph of Neutral endopeptidase | J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against big ET-1 of Neutral endopeptidase | J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukotriene A4 hydrolase (Homo sapiens (Human)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PDB Article | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against recombinant human Leukotriene A4 hydrolase | Bioorg Med Chem Lett 5: 2517-2522 (1995) Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
UA 498 CNRS Curated by ChEMBL | Assay Description Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP) | J Med Chem 31: 1825-31 (1988) BindingDB Entry DOI: 10.7270/Q2R49RC8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Oryctolagus cuniculus) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | Article | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against rabbit lung angiotensin-converting enzyme (ACE) | Bioorg Med Chem Lett 5: 2517-2522 (1995) Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1 | J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukotriene A4 hydrolase (Homo sapiens (Human)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development Curated by ChEMBL | Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase | J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Leukotriene A4 hydrolase (Homo sapiens (Human)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development Curated by ChEMBL | Assay Description Inhibitory activity was determined for LTB4 production in human whole blood. | J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | Article | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against rabbit kidney neutral endopeptidase (NEP) | Bioorg Med Chem Lett 5: 2517-2522 (1995) Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thermolysin (Bacillus thermoproteolyticus) | BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MCE PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN) | J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M | |||||||||||
More data for this Ligand-Target Pair |