BDBM17947 (2R,4S,5S,7R)-5-amino-N-butyl-4-hydroxy-8-{[2-(3-methoxypropoxy)phenyl]formamido}-2,7-dimethyloctanamide::Renin nonpeptide inhibitor, 7
SMILES: CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)CNC(=O)c1ccccc1OCCCOC
InChI Key: InChIKey=HCEVFKSMFFEYMG-WKDRNLAYSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM17947 ((2R,4S,5S,7R)-5-amino-N-butyl-4-hydroxy-8-{[2-(3-m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 2.0 | 37 |
Novartis Pharmaceuticals | Assay Description In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w... | Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM17947 ((2R,4S,5S,7R)-5-amino-N-butyl-4-hydroxy-8-{[2-(3-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Novartis Pharmaceuticals | Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi... | Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |