BDBM50084684 CHEMBL333627::{3-Methyl-1-[1-(3-morpholin-4-yl-propylaminooxalyl)-propylcarbamoyl]-butyl}-carbamic acid benzyl ester
SMILES: CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
InChI Key: InChIKey=TZVQRMYLYQNBOA-VXKWHMMOSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain 2 (Sus scrofa) | BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) | MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of porcine kidney calpain 2 | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain-1 (Sus scrofa (pig)) | BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of porcine erythrocyte calpain 1 | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin B | J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description The binding affinity against calpain. | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair |