BDBM50006864 CHEMBL420417::{1-[2-(2-Amino-thiazol-4-yl)-1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChI Key: InChIKey=MNCJMPPTISDLKZ-MYHRABSESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Bos taurus) | BDBM50006864 (CHEMBL420417 | {1-[2-(2-Amino-thiazol-4-yl)-1-(1-c...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 763 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co. Curated by ChEMBL | Assay Description Inhibition of Bovine Cathepsin D | J Med Chem 35: 2562-72 (1992) BindingDB Entry DOI: 10.7270/Q2ZK5H8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50006864 (CHEMBL420417 | {1-[2-(2-Amino-thiazol-4-yl)-1-(1-c...) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co. Curated by ChEMBL | Assay Description In vitro inhibition of monkey renin. | J Med Chem 35: 2562-72 (1992) BindingDB Entry DOI: 10.7270/Q2ZK5H8V | |||||||||||
More data for this Ligand-Target Pair |