BDBM50348992 CHEMBL1808236
SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CNC(=O)c2ccccc2)C(C)C)ccc1OC
InChI Key: InChIKey=FGSAUODHGXMKTL-YDPTYEFTSA-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)) | BDBM50348992 (CHEMBL1808236) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.02 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of renin measured every 30 secs for 15 mins by fluorimetric analysis | Bioorg Med Chem 19: 4238-49 (2011) Article DOI: 10.1016/j.bmc.2011.05.059 BindingDB Entry DOI: 10.7270/Q2HH6KD4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |