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-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 79 hits for monomerid = 50175583   

TargetTyrosine-protein kinase Blk(Human)
Acerta Pharma

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 DepthDetails Article
PubMed
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 DepthDetails
PubMed
TargetTyrosine-protein kinase Blk(Human)
Acerta Pharma

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 DepthDetails
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 DepthDetails
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 DepthDetails
PubMed
TargetEpidermal growth factor receptor(Human)
Henan Normal University

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 DepthDetails Article
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Henan Normal University

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 DepthDetails 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 DepthDetails Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails 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 DepthDetails Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataEC50: >1.00E+3nMAssay Description:Inhibition of EGFR phosphorylation in human A431 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using tyrosine-6 p...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 16nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged ERBB4 catalytic domain (708 to 993 residues) expressed in baculovirus expression system using t...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
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 Article
PubMed
TargetTyrosine-protein kinase TXK(Human)
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 368nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged TXK (260 to 527 residues) expressed in baculovirus expression system using tyrosine-6 peptide a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system using tyrosine-1 peptide as substrate preincuba...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 46nMAssay Description:Inhibition of His-tagged recombinant full length human His-tagged BMX cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Tec(Human)
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 29nMAssay Description:Inhibition of His-tagged recombinant human TEC expressed in baculovirus expression system preincubated for 1 hr by Z'lyte assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of His-tagged recombinant human His-tagged full length BTK expressed in baculovirus expression system using Tyr01 peptide as substrate pre...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Henan Normal University

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 DepthDetails
PubMed
TargetTyrosine-protein kinase Tec(Human)
Acerta Pharma

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 DepthDetails
PubMed
TargetEpidermal growth factor receptor(Human)
Henan Normal University

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 DepthDetails
PubMed
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK [C481S](Human)
TRANSTHERA SCIENCES (NANJING), INC.

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 DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Henan Normal University

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 DepthDetails
PubMed
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant human GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system using Tyr 04 peptide as substrate p...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Henan Normal University

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 DepthDetails
PubMed
TargetTyrosine-protein kinase Tec(Human)
Acerta Pharma

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 DepthDetails
PubMed
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase TXK(Human)
Acerta Pharma

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 DepthDetails
PubMed
TargetTyrosine-protein kinase Tec(Human)
Acerta Pharma

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 DepthDetails
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Acerta Pharma

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 DepthDetails
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Henan Normal University

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 DepthDetails
PubMed
TargetEpidermal growth factor receptor(Human)
Henan Normal University

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 DepthDetails
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataEC50: >1.00E+3nMAssay Description:Src enzyme (Millipore catalog #14-326), is diluted to 0.8 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 24nMAssay Description:Inhibition of BTK in vitamin D3 differentiated human THP1 cells assessed as inhibition of FCgammaR-induced IL8 production measured after 24 hrs by HT...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK3(Human)
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to DNA-tagged recombinant JAK3 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  140nMAssay Description:Binding affinity to DNA-tagged recombinant ERBB4 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to DNA-tagged recombinant ITK (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Tec(Human)
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataKd:  14nMAssay Description:Binding affinity to DNA-tagged recombinant TEC (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataIC50: 203nMAssay Description:Inhibition of BTK in human B cells assessed as reduction in anti-IgM/IL4-stimulated CD69 expression on B cells preincubated for 60 mins followed by a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Henan Normal University

Curated by ChEMBL
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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase Lyn(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
Affinity DataEC50: >1.00E+3nMAssay Description:Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US9758524, Example 6 | U...)
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

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