BDBM50022647 2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-4-morpholin-4-yl-4-oxo-butyramide::CHEMBL306338
SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
InChI Key: InChIKey=BZLKEVBCMKAFEF-QCZWDIFZSA-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)) | BDBM50022647 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | 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 | 0.290 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of purified human renin (pH 6.0) | J Med Chem 31: 2277-88 (1989) BindingDB Entry DOI: 10.7270/Q2PG1QQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50022647 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | 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 | 1.30 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of purified human renin (pH 6.0) | J Med Chem 31: 2277-88 (1989) BindingDB Entry DOI: 10.7270/Q2PG1QQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50022647 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | 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 | 1.60 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of human plasma renin at pH 7.4 | J Med Chem 36: 449-59 (1993) BindingDB Entry DOI: 10.7270/Q20K27M6 | |||||||||||
More data for this Ligand-Target Pair |