Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase pim-1
Ligand
BDBM50345243
Substrate
n/a
Meas. Tech.
ChEMBL_752073 (CHEMBL1786237)
IC50
200±n/a nM
Citation
 Xiang, Y; Hirth, B; Asmussen, G; Biemann, HP; Bishop, KA; Good, A; Fitzgerald, M; Gladysheva, T; Jain, A; Jancsics, K; Liu, J; Metz, M; Papoulis, A; Skerlj, R; Stepp, JD; Wei, RR The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg Med Chem Lett 21:3050-6 (2011) [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:
BDBM50345243
Synonyms:
CHEMBL1782514 | cis-5-(6-(4-aminocyclohexylamino)pyrazin-2-yl)benzofuran-2-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C19H20N4O3
Mol. Mass.:
352.3871
SMILES:
N[C@H]1CC[C@H](CC1)Nc1cncc(n1)-c1ccc2oc(cc2c1)C(O)=O |r,wD:4.7,1.0,(37.06,-16.23,;38.39,-17,;38.39,-18.54,;39.73,-19.31,;41.06,-18.53,;41.05,-16.99,;39.73,-16.23,;42.39,-19.29,;43.72,-18.52,;43.71,-16.97,;45.05,-16.2,;46.38,-16.97,;46.38,-18.51,;45.05,-19.28,;47.71,-19.28,;47.7,-20.82,;49.04,-21.59,;50.38,-20.81,;51.84,-21.28,;52.74,-20.03,;51.83,-18.79,;50.37,-19.27,;49.03,-18.51,;54.28,-20.02,;55.06,-21.35,;55.04,-18.68,)|
Structure:
Search PDB for entries with ligand similarity: