BDBM50003168 2-Benzyl-N-(6-cyclohexylmethyl-7-hydroxy-10-morpholin-4-ylmethyl-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-yl)-3-(2-methyl-propane-2-sulfonyl)-propionamide::CHEMBL338366
SMILES: CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
InChI Key: InChIKey=QDBSOAYINWNSQN-HVXHYHBXSA-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)) | BDBM50003168 (2-Benzyl-N-(6-cyclohexylmethyl-7-hydroxy-10-morpho...) | 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 | 0.200 | 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 |