BDBM50045691 CHEMBL94827::Methyl-{2-[methyl-(morpholine-4-carbonyl)-amino]-ethyl}-carbamic acid 1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-pyridin-2-yl-pentylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl ester
SMILES: CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
InChI Key: InChIKey=IYZGPHKBRHGQNR-OWIVKRMQSA-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)) | BDBM50045691 (CHEMBL94827 | Methyl-{2-[methyl-(morpholine-4-carb...) | 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 | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG Curated by ChEMBL | Assay Description In vitro inhibition of renin in human plasma | J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50045691 (CHEMBL94827 | Methyl-{2-[methyl-(morpholine-4-carb...) | 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 | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG Curated by ChEMBL | Assay Description In vitro inhibition of purified human kidney renin | J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61 | |||||||||||
More data for this Ligand-Target Pair |