BDBM50014100 2-(1-{[1-{2-Hydroxy-1-isobutyl-5-methyl-4-[2-methyl-1-(2-methylamino-pyridine-1-carbonyl)-butylcarbamoyl]-hexylcarbamoyl}-2-(1H-imidazol-4-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester::CHEMBL412950
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
InChI Key: InChIKey=SASWSEQJAITMKS-BPVPQGFMSA-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 (Rattus norvegicus) | BDBM50014100 (2-(1-{[1-{2-Hydroxy-1-isobutyl-5-methyl-4-[2-methy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company Curated by ChEMBL | Assay Description Tested invitro for inhibitory activity against plasma renin in rat models | J Med Chem 33: 2276-83 (1990) BindingDB Entry DOI: 10.7270/Q28C9V7S | |||||||||||
More data for this Ligand-Target Pair |