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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50175583   

TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  3.10nMAssay Description:Inhibition of recombinant BTK (unknown origin) preincubated for 1 hr followed by ATP addition by IMAP assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  198nMAssay Description:Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  297nMAssay Description:Inhibition of BTK in human whole blood derived-basophils assessed as suppression of IgE mediated-FcepsilonR ligation-stimulated CD63 expressionMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  3nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  747nMAssay Description:Inhibition of BTK in human basophils assessed as reduction in anti-IgE mouse IgG1 antibody Le2-stimulated CD63 expression on basophil preincubated fo...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  19nMAssay Description:Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  3nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50: >2.00E+3nMAssay Description:Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Z'-lyte-la...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  47nMAssay Description:1: Test Principle:Mobility-Shift Assay, which is microfluidic chip technology, applies the basic concept of capillary electrophoresis to microfluidic...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
Dongguan Zhenxing-Beite Medicine Technology

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50: >1.00E+4nMAssay Description:In the case of Km ATP, EGFR T790M/L858R protein kinase activity was tested by Caliper mobility shift assay (referring to J Biomol Screen 14:31, 2009)...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50: >5.00E+3nMAssay Description:The inhibitory activities of the compound to Tec, Txk, and ITK of human were performed by Eurofins Pharma Discovery Services UK Limited (UK) of the U...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  195nMAssay Description:The inhibitory activities of the compound to Tec, Txk, and ITK of human were performed by Eurofins Pharma Discovery Services UK Limited (UK) of the U...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase TXK(Homo sapiens (Human))
Dongguan Zhenxing-Beite Medicine Technology

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  5.00E+3nMAssay Description:The inhibitory activities of the compound to Tec, Txk, and ITK of human were performed by Eurofins Pharma Discovery Services UK Limited (UK) of the U...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50: <100nMAssay Description:Activity of BTK protein kinase was tested by Caliper mobility shift assay (referring to J Biomol Screen 14:31, 2009). The compound of the present dis...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetTyrosine-protein kinase TXK(Homo sapiens (Human))
Dongguan Zhenxing-Beite Medicine Technology

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 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-4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))
Acerta Pharma

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetPlatelet glycoprotein VI(Homo sapiens (Human))
University Of Leeds

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  3nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

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))
TBA

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))
TBA

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))
TBA

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))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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
TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))
TRANSTHERA SCIENCES (NANJING), INC.

US Patent
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  3nMAssay Description:Irreversible inhibition of recombinant human BTKMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
Affinity DataIC50:  3nMAssay Description:Irreversible inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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 Tec(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50175583(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)
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