BDBM50012943 6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetylamino]-hexanoic acid butylamide::CHEMBL430619
SMILES: CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C
InChI Key: InChIKey=XCHUDICJLCLMFI-UHFFFAOYSA-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)) | BDBM50012943 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human renin | J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F | |||||||||||
More data for this Ligand-Target Pair |