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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM240262'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain-1 catalytic subunit


(Sus scrofa (pig))
BDBM240262
PNG
(US9403843, 33)
Show SMILES OC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H15FN4O5S2/c20-10-3-1-9(2-4-10)13-7-31-19(23-13)24-16(25)12(5-11-6-30-8-21-11)22-17(26)14-15(29-14)18(27)28/h1-4,6-8,12,14-15H,5H2,(H,22,26)(H,27,28)(H,23,24,25)/t12-,14+,15+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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KEGG
PC cid
PC sid
UniChem
US Patent
2.60E+3 -32.4n/an/an/an/an/a7.630



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
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM240262
PNG
(US9403843, 33)
Show SMILES OC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H15FN4O5S2/c20-10-3-1-9(2-4-10)13-7-31-19(23-13)24-16(25)12(5-11-6-30-8-21-11)22-17(26)14-15(29-14)18(27)28/h1-4,6-8,12,14-15H,5H2,(H,22,26)(H,27,28)(H,23,24,25)/t12-,14+,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/a7.4n/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