Reaction Details Report a problem with these data
Target
Calcium/calmodulin-dependent protein kinase type 1
Ligand
BDBM50545576
Substrate
n/a
Meas. Tech.
ChEMBL_1996001 (CHEMBL4629896)
IC50
2.0±n/a nM
Citation
 Fromont, C; Atzori, A; Kaur, D; Hashmi, L; Greco, G; Cabanillas, A; Nguyen, HV; Jones, DH; Garzón, M; Varela, A; Stevenson, B; Iacobini, GP; Lenoir, M; Rajesh, S; Box, C; Kumar, J; Grant, P; Novitskaya, V; Morgan, J; Sorrell, FJ; Redondo, C; Kramer, A; Harris, CJ; Leighton, B; Vickers, SP; Cheetham, SC; Kenyon, C; Grabowska, AM; Overduin, M; Berditchevski, F; Weston, CJ; Knapp, S; Fischer, PM; Butterworth, S Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesity  J Med Chem 63:6784-6801 (2020) [PubMed]  Article 
Target
Name:
Calcium/calmodulin-dependent protein kinase type 1
Synonyms:
CAMK1 | CaM kinase I | CaM kinase I alpha | CaM-KI | CaMKI-alpha | Calcium/calmodulin-dependent protein kinase type 1 | KCC1A_HUMAN
Type:
PROTEIN
Mol. Mass.:
41325.04
Organism:
Homo sapiens (Human)
Description:
ChEMBL_655701
Residue:
370
Sequence:
MLGAVEGPRWKQAEDIRDIYDFRDVLGTGAFSEVILAEDKRTQKLVAIKCIAKEALEGKEGSMENEIAVLHKIKHPNIVALDDIYESGGHLYLIMQLVSGGELFDRIVEKGFYTERDASRLIFQVLDAVKYLHDLGIVHRDLKPENLLYYSLDEDSKIMISDFGLSKMEDPGSVLSTACGTPGYVAPEVLAQKPYSKAVDCWSIGVIAYILLCGYPPFYDENDAKLFEQILKAEYEFDSPYWDDISDSAKDFIRHLMEKDPEKRFTCEQALQHPWIAGDTALDKNIHQSVSEQIKKNFAKSKWKQAFNATAVVRHMRKLQLGTSQEGQGQTASHGELLTPVAGGPAAGCCCRDCCVEPGTELSPTLPHQL
  
Inhibitor
Name:
BDBM50545576
Synonyms:
CHEMBL4640712 | US11530193, Example 50
Type:
Small organic molecule
Emp. Form.:
C24H30N8O
Mol. Mass.:
446.548
SMILES:
CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r|
Structure:
Search PDB for entries with ligand similarity: