BDBM50175583 ACP-196::Acalabrutinib::US10239883, Example 6::US10793576, Example ACP-196::US10919899, ACP-196::US10934296, Example 6::US11420975, Acalabrutinlb::US9758524, Example 6

SMILES [H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

InChI Key InChIKey=WDENQIQQYWYTPO-IBGZPJMESA-N

Data  43 IC50  18 Kd  18 EC50

PDB links: 1 PDB ID matches 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 = 50175583   

TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))
TRANSTHERA SCIENCES (NANJING), INC.

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  815nMAssay Description:The substrate solution was prepared by adding the substrate poly(Glu, Tyr) sodium salt (Sigma Aldrich, St. Louis, Mo.) to the substrate reaction buff...More data for this Ligand-Target Pair