BDBM50003191 CHEMBL338008::[1-(6-Cyclohexylmethyl-7-hydroxy-10-morpholin-4-ylmethyl-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid 2-morpholin-4-yl-ethyl ester
SMILES: O[C@@H]1[C@H](CC2CCCCC2)NC(=O)[C@H](COC(=O)CCC[C@H](CN2CCOCC2)OC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCOCC1
InChI Key: InChIKey=BATHXHHTBDJHHT-RNPUFIIPSA-N
Data: 1 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)) | BDBM50003191 (CHEMBL338008 | [1-(6-Cyclohexylmethyl-7-hydroxy-10...) | 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 | 0.410 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against human renin inhibition (at pH 7.4) | J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ | |||||||||||
More data for this Ligand-Target Pair |