BDBM50322535 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide::3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide::CHEMBL1171837::PONATINIB::US10464902, Ponatinib::US9255107, AP24534

SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1

InChI Key InChIKey=PHXJVRSECIGDHY-UHFFFAOYSA-N

Data  1 KI  118 IC50  3 Kd  2 EC50

PDB links: 15 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322535   

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [970-2527,I2020T](Homo sapiens (Human))
Harvard Neurodiscovery Center

LigandPNGBDBM50322535(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Affinity DataIC50:  800nMpH: 7.4 T: 2°CAssay Description:The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed