BDBM50042422 CHEMBL117888::{1-[1-(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)NCC1CCCCC1
InChI Key: InChIKey=YXADZLOTFPFSML-UHFFFAOYSA-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 (m-Calpain) (Homo sapiens (Human)) | BDBM50042422 (CHEMBL117888 | {1-[1-(Cyclohexylmethyl-aminooxalyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0440 | 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)) | BDBM50042422 (CHEMBL117888 | {1-[1-(Cyclohexylmethyl-aminooxalyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.680 | 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 | |||||||||||||
Calpain-2 (m-Calpain) (Homo sapiens (Human)) | BDBM50042422 (CHEMBL117888 | {1-[1-(Cyclohexylmethyl-aminooxalyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | 8.0 | n/a |
School of Chemistry and Biochemistry Curated by ChEMBL | Assay Description Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0 | J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain 1/small subunit 1 (Homo sapiens (Human)) | BDBM50042422 (CHEMBL117888 | {1-[1-(Cyclohexylmethyl-aminooxalyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 680 | 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 Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0. | J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3 | |||||||||||
More data for this Ligand-Target Pair |