Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50403562' 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 |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50403562
(CHEMBL2062138 | UK-69578)Show SMILES COCCOCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)Oc1ccc2CCCc2c1 |wU:19.23,16.16,(-7.72,2.65,;-6.63,1.56,;-5.54,2.65,;-4.45,1.54,;-3.34,2.63,;-2.23,1.53,;-2.23,-.01,;-.89,-.72,;.43,.09,;1.68,.98,;1.19,2.46,;-.35,2.44,;-.82,.98,;1.77,-.64,;1.84,-2.18,;3.09,.18,;4.46,-.55,;5.74,.28,;7.1,-.46,;7.16,-2,;5.85,-2.8,;4.5,-2.08,;8.51,-2.73,;8.56,-4.27,;9.82,-1.9,;-3.55,-.81,;-3.5,-2.35,;-4.9,-.07,;-6.21,-.91,;-7.57,-.17,;-8.88,-.99,;-8.84,-2.54,;-9.94,-3.63,;-9.26,-5.01,;-7.72,-4.79,;-7.46,-3.25,;-6.16,-2.45,)| Show InChI InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23?,24+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description Inhibitory activity against Endopeptidase |
J Med Chem 43: 305-41 (2000)
Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50403562
(CHEMBL2062138 | UK-69578)Show SMILES COCCOCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)Oc1ccc2CCCc2c1 |wU:19.23,16.16,(-7.72,2.65,;-6.63,1.56,;-5.54,2.65,;-4.45,1.54,;-3.34,2.63,;-2.23,1.53,;-2.23,-.01,;-.89,-.72,;.43,.09,;1.68,.98,;1.19,2.46,;-.35,2.44,;-.82,.98,;1.77,-.64,;1.84,-2.18,;3.09,.18,;4.46,-.55,;5.74,.28,;7.1,-.46,;7.16,-2,;5.85,-2.8,;4.5,-2.08,;8.51,-2.73,;8.56,-4.27,;9.82,-1.9,;-3.55,-.81,;-3.5,-2.35,;-4.9,-.07,;-6.21,-.91,;-7.57,-.17,;-8.88,-.99,;-8.84,-2.54,;-9.94,-3.63,;-9.26,-5.01,;-7.72,-4.79,;-7.46,-3.25,;-6.16,-2.45,)| Show InChI InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23?,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7 BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this Ligand-Target Pair | |