BDBM50011231 2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-thiazol-4-yl-ethyl}-4-morpholin-4-yl-4-oxo-butyramide::CHEMBL344272
SMILES: CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
InChI Key: InChIKey=UQQFLRHXOJEHKL-BQBSFFJSSA-N
Data: 4 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)) | BDBM50011231 (2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...) | 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 | 0.600 | n/a | n/a | n/a | n/a | 6.5 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the inhibitory concentration against purified human renal renin at pH 6.5 | J Med Chem 34: 469-71 (1991) BindingDB Entry DOI: 10.7270/Q2WD3ZH8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50011231 (2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...) | 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 | 8.10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the inhibitory concentration against human plasma renin at pH 7.4 | J Med Chem 34: 469-71 (1991) BindingDB Entry DOI: 10.7270/Q2WD3ZH8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50011231 (2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...) | 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 | 8.10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against human plasma renin at pH 7.4 | J Med Chem 36: 460-7 (1993) BindingDB Entry DOI: 10.7270/Q2VT1R5C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50011231 (2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...) | 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 | 8.10 | 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 |