Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase pim-1
Ligand
BDBM50364772
Substrate
n/a
Meas. Tech.
ChEMBL_803130 (CHEMBL1954566)
IC50
27±n/a nM
Citation
 Pastor, J; Oyarzabal, J; Saluste, G; Alvarez, RM; Rivero, V; Ramos, F; Cendón, E; Blanco-Aparicio, C; Ajenjo, N; Cebriá, A; Albarrán, MI; Cebrián, D; Corrionero, A; Fominaya, J; Montoya, G; Mazzorana, M Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors. Bioorg Med Chem Lett 22:1591-7 (2012) [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:
BDBM50364772
Synonyms:
CHEMBL1952133
Type:
Small organic molecule
Emp. Form.:
C18H18F3N5O2
Mol. Mass.:
393.363
SMILES:
O[C@H]1CC[C@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wD:4.7,1.0,(-8.42,-37.15,;-8.41,-35.61,;-7.08,-34.85,;-7.07,-33.3,;-8.4,-32.53,;-9.74,-33.3,;-9.74,-34.84,;-8.4,-30.99,;-7.06,-30.22,;-7.06,-28.68,;-5.73,-27.91,;-4.4,-28.67,;-2.92,-28.19,;-2.01,-29.45,;-2.92,-30.7,;-2.17,-32.04,;-2.95,-33.36,;-2.19,-34.7,;-.65,-34.71,;.13,-33.38,;1.67,-33.38,;2.43,-34.72,;3.97,-34.73,;1.66,-36.05,;3.2,-36.04,;-.63,-32.04,;-4.4,-30.22,;-5.73,-30.99,)|
Structure:
Search PDB for entries with ligand similarity: