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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 = 'BDBM50258317'   
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


(Homo sapiens (Human))
BDBM50258317
PNG
(CHEMBL4072233)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2ccccc2n1
Show InChI InChI=1S/C23H19N5O3/c24-21(30)20(29)19(13-15-7-2-1-3-8-15)26-23(31)17-10-6-12-25-22(17)28-14-16-9-4-5-11-18(16)27-28/h1-12,14,19H,13H2,(H2,24,30)(H,26,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



Neuroscience Research, AbbVie Deutschland GmbH& Co. KG , Knollstrasse, 67061 Ludwigshafen, Germany.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes calpain-1 using Suc-Leu-Tyr-AMC as substrate by kinetic fluorescence assay


J Med Chem 60: 7123-7138 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00731
BindingDB Entry DOI: 10.7270/Q2Q242P4
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Rattus norvegicus)
BDBM50258317
PNG
(CHEMBL4072233)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2ccccc2n1
Show InChI InChI=1S/C23H19N5O3/c24-21(30)20(29)19(13-15-7-2-1-3-8-15)26-23(31)17-10-6-12-25-22(17)28-14-16-9-4-5-11-18(16)27-28/h1-12,14,19H,13H2,(H2,24,30)(H,26,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Neuroscience Research, AbbVie Deutschland GmbH& Co. KG , Knollstrasse, 67061 Ludwigshafen, Germany.

Curated by ChEMBL


Assay Description
Inhibition of calpain-1 in rat hippocampal slices assessed as prevention of NMDA-induced spectrin cleavage preincubated for 30 mins followed by NMDA ...


J Med Chem 60: 7123-7138 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00731
BindingDB Entry DOI: 10.7270/Q2Q242P4
More data for this
Ligand-Target Pair