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   

TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataEC50: >1.00E+3nMAssay Description:FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataEC50: >1.00E+3nMAssay Description:FynT enzyme (Biomol catalog #SE-287), is diluted to 0.5 μg/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataEC50: >1.00E+3nMAssay Description:FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...More data for this Ligand-Target Pair
In DepthDetails US Patent