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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175583   

TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataKd:  7.40nMAssay Description:Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of His-tagged human recombinant ERBB2 (676 to 1255 residues) expressed in baculovirus expression system using Tyr 06 as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataKd:  350nMAssay Description:Binding affinity to ERBB2 (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed