BDBM50014082 (S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-2-[3-(2,3-dihydroxy-propyl)-3-methyl-ureido]-3-(4-methoxy-phenyl)-propionamide::CHEMBL58351
SMILES: CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CC(O)CO
InChI Key: InChIKey=IVWGTWKTJPINNF-RRRYISNWSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Renin (Homo sapiens (Human)) | BDBM50014082 ((S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | 6.5 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against purified human renal renin at pH 6.5 | J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50014082 ((S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against human plasma renin at pH 7.4 | J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2 | |||||||||||
More data for this Ligand-Target Pair |