BDBM50437948 CHEMBL2408899::US9403843, 50
SMILES: OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)NCc1cn(nn1)-c1ccc(F)cc1
InChI Key: InChIKey=IPWMYOJQVHCYRC-JYJNAYRXSA-N
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 |
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Calpain-1 catalytic subunit (Sus scrofa (pig)) | BDBM50437948 (CHEMBL2408899 | US9403843, 50) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | Article PubMed | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois College of Pharmacy Curated by ChEMBL | Assay Description Inhibition of pig full length Cal1 after using SucLLVYAMC as substrate by FRET assay | J Med Chem 56: 6054-68 (2013) Article DOI: 10.1021/jm4006719 BindingDB Entry DOI: 10.7270/Q2VT1TG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain-1 catalytic subunit (Sus scrofa (pig)) | BDBM50437948 (CHEMBL2408899 | US9403843, 50) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | US Patent | 2.90E+3 | -7.68 | n/a | n/a | n/a | n/a | n/a | 7.6 | 30 |
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent | Assay Description Full length porcine calpain (156 nM), or papain (236 pM) was added to a solution of 100 mM NaCl, 50 mM HEPES, pH 7.6, 1 mM TCEP, 30 μM Suc-LLVY-AM... | US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Papain (Carica papaya) | BDBM50437948 (CHEMBL2408899 | US9403843, 50) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | Article PubMed | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois College of Pharmacy Curated by ChEMBL | Assay Description Inhibition of papain after using SucLLVYAMC as substrate by FRET assay | J Med Chem 56: 6054-68 (2013) Article DOI: 10.1021/jm4006719 BindingDB Entry DOI: 10.7270/Q2VT1TG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain-1 catalytic subunit (Homo sapiens (Human)) | BDBM50437948 (CHEMBL2408899 | US9403843, 50) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 100 | n/a | n/a | n/a | n/a | 7.4 | n/a |
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent | Assay Description The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET ... | US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain-1 catalytic subunit (Homo sapiens (Human)) | BDBM50437948 (CHEMBL2408899 | US9403843, 50) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 125 | n/a | n/a | n/a | n/a | 7.4 | n/a |
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent | Assay Description The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET ... | US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124 | |||||||||||
More data for this Ligand-Target Pair |