BDBM50053856 CHEMBL131781::{1-[1-(5-Hydroxy-1,3,3-trimethyl-cyclohexylmethyl)-aminooxalyl]-propylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester
SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1
InChI Key: InChIKey=RVUJRRBCTAYDMG-UHFFFAOYSA-N
Data: 3 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 (m-Calpain) (Homo sapiens (Human)) | BDBM50053856 (CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of Cysteine protease Calpain 2 | J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM50053856 (CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry Curated by ChEMBL | Assay Description Inhibition of the cysteine protease human Calpain 1 | J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50053856 (CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry Curated by ChEMBL | Assay Description Inhibition of human cathepsin B | J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR | |||||||||||
More data for this Ligand-Target Pair |