BDBM50298192 CHEMBL561407::N-((2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl)-N-isopropyl-4-methoxy-3-(4-methoxybutyl)benzamide
SMILES: CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CCCCOC)c1
InChI Key: InChIKey=VJOSOVQVENJMHT-QDSKXPNFSA-N
Data: 3 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)) | BDBM50298192 (CHEMBL561407 | N-((2S,3S,5R)-2-amino-6-(butylamino...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University Curated by ChEMBL | Assay Description Inhibition of purified recombinant human renin | Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Bos taurus) | BDBM50298192 (CHEMBL561407 | N-((2S,3S,5R)-2-amino-6-(butylamino...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University Curated by ChEMBL | Assay Description Inhibition of bovine cathepsin D | Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50298192 (CHEMBL561407 | N-((2S,3S,5R)-2-amino-6-(butylamino...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University Curated by ChEMBL | Assay Description Inhibition of human plasma renin | Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG | |||||||||||
More data for this Ligand-Target Pair |