Reaction Details  Report a problem with these data
Target
Calpain-1 catalytic subunit
Ligand
BDBM50258316
Substrate
n/a
Meas. Tech.
ChEBML_1690438
IC50
>10000±n/a nM
Citation
 Kling, A; Jantos, K; Mack, H; Hornberger, W; Drescher, K; Nimmrich, V; Relo, A; Wicke, K; Hutchins, CW; Lao, Y; Marsh, K; Moeller, A Discovery of Novel and Highly Selective Inhibitors of Calpain for the Treatment of Alzheimer's Disease: 2-(3-Phenyl-1H-pyrazol-1-yl)-nicotinamides. J Med Chem 60:7123-7138 (2017) [PubMed]  Article
Target
Name:
Calpain-1 catalytic subunit
Synonyms:
CAN1_RAT | Calpain 1 | Capn1 | Cls1
Type:
PROTEIN
Mol. Mass.:
82108.68
Organism:
Rattus norvegicus
Description:
ChEMBL_788734
Residue:
713
Sequence:
MAEELITPVYCTGVSAQVQKQRDKELGLGRHENAIKYLGQDYENLRARCLQNGVLFQDDAFPPVSHSLGFKELGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNETILHRVVPYGQSFQEGYAGIFHFQLWQFGEWVDVVVDDLLPTKDGKLVFVHSAQGNEFWSALLEKAYAKVNGSYEALSGGCTSEAFEDFTGGVTEWYDLQKAPSDLYQIILKALERGSLLGCSINISDIRDLEAITFKNLVRGHAYSVTDAKQVTYQGQRVNLIRMRNPWGEVEWKGPWSDNSYEWNKVDPYEREQLRVKMEDGEFWMSFRDFIREFTKLEICNLTPDALKSRTLRNWNTTFYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLEEVDDADDYDSRESGCSFLLALMQKHRRRERRFGRDMETIGFAVYQVPRELAGQPVHLKRDFFLANASRAQSEHFINLREVSNRIRLPPGEYIVVPSTFEPNKEGDFLLRFFSEKKAGTQELDDQIQANLPDEKVLSEEEIDDNFKTLFSKLAGDDMEISVKELQTILNRIISKHKDLRTNGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLTIFRKFDLDKSGSMSAYEMRMAIEAAGFKLNKKLHELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKILDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM50258316
Synonyms:
CHEMBL4094544
Type:
Small organic molecule
Emp. Form.:
C30H32N6O3
Mol. Mass.:
524.6135
SMILES:
CCN(CC)Cc1ccc(cc1)-c1ccn(n1)-c1ncccc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O
Structure:
Search PDB for entries with ligand similarity: