BDBM50022591 2,2-Dimethyl-propionic acid 1-[1-(4-{1-[1-carbamoyl-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-hydroxy-1-isobutyl-5-methyl-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-1-phenyl-ethyl ester::CHEMBL54655
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
InChI Key: InChIKey=OAADIKGQWZKEMI-KWHXNPDLSA-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)) | BDBM50022591 (2,2-Dimethyl-propionic acid 1-[1-(4-{1-[1-carbamoy...) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ciba-Geigy Limited Curated by ChEMBL | Assay Description In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2 | J Med Chem 31: 1839-46 (1988) BindingDB Entry DOI: 10.7270/Q2Z03744 | |||||||||||
More data for this Ligand-Target Pair |