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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P17655   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Calpain-1/Calpain-2 catalytic subunit


(Homo sapiens (Human))
BDBM50536838
PNG
(CHEMBL4520267)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-14-18(27)15-25-23(29)21(13-16-7-2-1-3-8-16)26-22(28)20-12-6-10-17-9-4-5-11-19(17)20/h1-12,21H,13-15H2,(H,25,29)(H,26,28)/t21-/m0/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Calpain-1/Calpain-2 catalytic subunit


(Homo sapiens (Human))
BDBM50536839
PNG
(CHEMBL2402203 | acs.jmedchem.1c00409_ST.724)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF |r|
Show InChI InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Calpain-1/Calpain-2 catalytic subunit


(Homo sapiens (Human))
BDBM50536834
PNG
(CHEMBL4590201)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair