BDBM50159149 CHEMBL179042::Peptidyl boronic acid derivative
SMILES: CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)N=Cc1cccc(c1)B(O)O
InChI Key: InChIKey=SRDXAZFMGHVTFK-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain1 (Homo sapiens (Human)) | BDBM50159149 (CHEMBL179042 | Peptidyl boronic acid derivative) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Rennes 1 Curated by ChEMBL | Assay Description Inhibitory concentration against Calpain I activity | J Med Chem 48: 330-4 (2005) Article DOI: 10.1021/jm049455f BindingDB Entry DOI: 10.7270/Q2H994PD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50159149 (CHEMBL179042 | Peptidyl boronic acid derivative) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Rennes 1 Curated by ChEMBL | Assay Description In vitro inhibitory activity against Factor Xa | J Med Chem 48: 330-4 (2005) Article DOI: 10.1021/jm049455f BindingDB Entry DOI: 10.7270/Q2H994PD | |||||||||||
More data for this Ligand-Target Pair |