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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50175583   

TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  5.10nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  126nMAssay Description:Inhibition of TEC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of ITK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataEC50:  9.20nMAssay Description:Inhibition of BTK in human whole bloodMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataEC50:  4.70E+3nMAssay Description:Inhibition of EGFR phosphorylation in human A-431 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed