BDBM50021994 1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-pyrrolidine-2-carboxylic acid {1-[1-{1-benzyl-3-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-propylcarbamoyl}-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-amide::CHEMBL414518
SMILES: CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=QPBOXVPNTFNLGR-VEUFVCKOSA-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) | BDBM50021994 (1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital Curated by ChEMBL | Assay Description Inhibitory activity against rat plasma renin in vitro. | J Med Chem 31: 1679-86 (1988) BindingDB Entry DOI: 10.7270/Q2NC61TR | |||||||||||
More data for this Ligand-Target Pair |