BDBM50350922 CHEMBL1818063
SMILES: COC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(Cl)c1-c1cccc(C)c1
InChI Key: InChIKey=XMFPYLMRYFHYBN-YWHUKLHMSA-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 |
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Renin (Homo sapiens (Human)) | BDBM50350922 (CHEMBL1818063) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
USA. Curated by ChEMBL | Assay Description Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluores... | Bioorg Med Chem Lett 21: 4836-43 (2011) Article DOI: 10.1016/j.bmcl.2011.06.043 BindingDB Entry DOI: 10.7270/Q25M663G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |