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

SMILES C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5

InChI Key InChIKey=VSFINVOSLLRTIP-UHFFFAOYSA-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 99 hits for monomerid = 50175583   

TargetTyrosine-protein kinase ITK/TSK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  1.20E+4nMAssay Description:Binding affinity to ITK (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase BTK [C481S](Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
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
In Depth
Date in BDB:
11/6/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 18.6nMAssay 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
In Depth
Date in BDB:
11/6/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataEC50:  4.70E+3nMAssay Description:Inhibition of EGFR phosphorylation in human A-431 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataEC50:  9.20nMAssay Description:Inhibition of BTK in human whole bloodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of ITK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase Tec(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 126nMAssay Description:Inhibition of TEC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 5.10nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 3nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase TXK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  24nMAssay Description:Binding affinity to TXK (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase Tec(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  5.5nMAssay Description:Binding affinity to TEC (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  3.00E+3nMAssay Description:Binding affinity to JAK3 (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 3nMAssay Description:Irreversible inhibition of recombinant human BTKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  170nMAssay Description:Binding affinity to EGFR (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  2.60nMAssay Description:Binding affinity to BTK (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytoplasmic tyrosine-protein kinase BMX(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  19nMAssay Description:Binding affinity to BMX (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetTyrosine-protein kinase Blk(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  18nMAssay Description:Binding affinity to BLK (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  60nMAssay Description:Binding affinity to ERBB4 (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  350nMAssay Description:Binding affinity to ERBB2 (unknown origin) assessed as dissociation constant by KINOMEscan analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 3.51E+3nMAssay Description:Inhibition of N-terminal DYKDDDD-tagged EGFR (669 to 1210 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of full-length N-terminal GST-tagged ITK (2 to 620 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 598nMAssay Description:Inhibition of full-length N-terminal GST-tagged BMX (1 to 675 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 24nMAssay Description:Inhibition of full-length N-terminal GST tagged BTK (2 to 659 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPlatelet glycoprotein VI(Human)
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.21E+3nMAssay Description:Inhibition of GP6 in human whole blood assessed as protein-mediated platelet aggregation preincubated for 15 mins followed by collagen stimulation an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetTyrosine-protein kinase Tec(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 93nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTyrosine-protein kinase Blk(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTyrosine-protein kinase JAK3(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 16nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetEpidermal growth factor receptor(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTyrosine-protein kinase TXK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 368nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTyrosine-protein kinase Blk(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant full length human His-tagged BLK cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetCytoplasmic tyrosine-protein kinase BMX(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 46nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 5.10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 5.10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataEC50: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTyrosine-protein kinase Tec(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 20nMAssay Description:Inhibition of FLAG-tagged TEC autophosphorylation in HEK293 cells incubated for 2 hrs by MSD electrochemiluminescence immunoassayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EGFR autophosphorylation at Tyr1068 residue in EGFR-amplified human A-431 cells preincubated with compound for 1 hrs followed by stimul...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 11nMAssay Description:Inhibition of BTK phosphorylation at Tyr 223 residue in human Ramos cell incubated for 3 hrs by HTRF-based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Transthera Sciences (Nanjing)

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 3nMAssay Description:Irreversible inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
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