BDBM50014104 CHEMBL410067::N-[[[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-carbonyl]-Pro-Phe-N(Me) His-Leu[CHOHCH2]Val-Ile-AmpO
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)NC(CO)(CO)CO)C(C)C)C(=O)OCc1ccccn1
InChI Key: InChIKey=VTDGDPGRUIOAAH-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) | BDBM50014104 (CHEMBL410067 | N-[[[2-Hydroxy-1,1-bis(hydroxymethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.580 | 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 |