BDBM50011698 CHEMBL354505::{1-[1-[1-Cyclohexylmethyl-2-hydroxy-2-(1-methyl-2-oxo-5-vinyl-pyrrolidin-3-yl)-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
SMILES: CN1[C@@H](C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)C=C
InChI Key: InChIKey=ZFZUCSZEDBBENP-KLLDHOPQSA-N
Data: 6 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)) | BDBM50011698 (CHEMBL354505 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) | 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 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay | J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin E (Homo sapiens (Human)) | BDBM50011698 (CHEMBL354505 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against cathepsin E | J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50011698 (CHEMBL354505 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) | 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 | 8.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against Gastricsin | J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50011698 (CHEMBL354505 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against cathepsin D | J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsin A (Porcine) | BDBM50011698 (CHEMBL354505 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against Pepsin | J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsinogen C (Homo sapiens (Human)) | BDBM50011698 (CHEMBL354505 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against Gastricsin | J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK | |||||||||||
More data for this Ligand-Target Pair |