Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase ABL1 [64-515]
Ligand
BDBM222467
Substrate
n/a
Meas. Tech.
Radiometric Filter-Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
3.9±n/a nM
Comments
extracted
Citation
 Furet, P; Grotzfeld, RM; Jahnke, W; Jones, DB; Manley, PW; Marzinzik, A; Moussaoui, S; Pelle, XF; Salem, B; Schoepfer, J Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 US Patent  US9315489 Publication Date 4/19/2016 
Target
Name:
Tyrosine-protein kinase ABL1 [64-515]
Synonyms:
ABL | ABL1 | ABL1_HUMAN | JTK7 | Tyrosine-protein kinase ABL1 | Tyrosine-protein kinase ABL1 (64-515) | Tyrosine-protein kinase ABL1 (ABL) | Tyrosine-protein kinase ABL1 (ABL1)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51539.77
Organism:
Homo sapiens (Human)
Description:
aa 64-515
Residue:
452
Sequence:
NLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGV
  
Inhibitor
Name:
BDBM222467
Synonyms:
US9315489, 3
Type:
Small organic molecule
Emp. Form.:
C20H12F3N3O2
Mol. Mass.:
383.3234
SMILES:
FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2cncc(c2)C#N)cc1
Structure:
Search PDB for entries with ligand similarity: