BDBM50314653 (S)-3-amino-N-(2-chloro-5-(3-cyanopropyl)benzyl)-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-methylphenoxy)propyl)benzyl)propanamide::CHEMBL1093934
SMILES: Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cc(CCCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1
InChI Key: InChIKey=BOGNZMNIJKBCJR-MHZLTWQESA-N
Data: 2 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)) | BDBM50314653 ((S)-3-amino-N-(2-chloro-5-(3-cyanopropyl)benzyl)-N...) | 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 | 0.110 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4 | Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50314653 ((S)-3-amino-N-(2-chloro-5-(3-cyanopropyl)benzyl)-N...) | 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 | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human recombinant renin in human citrated-plasma | Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD | |||||||||||
More data for this Ligand-Target Pair |