Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase pim-1
Ligand
BDBM50552190
Substrate
n/a
Meas. Tech.
ChEMBL_2033741 (CHEMBL4687899)
IC50
0.006±n/a nM
Citation
 Quevedo, CE; Bataille, CJR; Byrne, S; Durbin, M; Elkins, J; Guillermo, A; Jones, AM; Knapp, S; Nadali, A; Walker, RG; Wilkinson, IVL; Wynne, GM; Davies, SG; Russell, AJ Aminothiazolones as potent, selective and cell active inhibitors of the PIM kinase family. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase pim-1
Synonyms:
PIM-1 Kinase | PIM1 | PIM1_HUMAN | Proto-oncogene serine/threonine-protein kinase Pim-1 | Serine/threonine-protein kinase (PIM1) | Serine/threonine-protein kinase PIM | Serine/threonine-protein kinase PIM1 | Serine/threonine-protein kinase pim-1 (PIM1)
Type:
Protein
Mol. Mass.:
35681.82
Organism:
Homo sapiens (Human)
Description:
P11309
Residue:
313
Sequence:
MLLSKINSLAHLRAAPCNDLHATKLAPGKEKEPLESQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSGFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLHSLSPGPSK
  
Inhibitor
Name:
BDBM50552190
Synonyms:
CHEMBL4741714
Type:
Small organic molecule
Emp. Form.:
C25H24F3N3O
Mol. Mass.:
439.4728
SMILES:
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccccc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,1.0,3.3,(34.39,-20.74,;33.06,-21.51,;31.73,-20.73,;30.39,-21.51,;29.06,-20.73,;30.39,-23.05,;31.72,-23.81,;33.06,-23.04,;31.73,-25.34,;30.4,-26.11,;30.4,-27.66,;31.73,-28.42,;33.07,-27.65,;33.07,-26.11,;34.4,-25.33,;35.74,-26.1,;35.74,-27.63,;37.07,-25.32,;38.4,-26.09,;39.72,-25.31,;39.72,-23.77,;41.05,-23,;38.38,-23.01,;37.05,-23.79,;38.36,-21.48,;39.69,-20.7,;41.03,-21.46,;39.68,-19.16,;38.34,-18.4,;37.02,-19.19,;37.03,-20.72,;35.71,-21.51,)|
Structure:
Search PDB for entries with ligand similarity: