BDBM112499 DACOMITINIB::US8623883, No. 2::WO2022090481, Example dacomitinib

SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1

InChI Key InChIKey=LVXJQMNHJWSHET-AATRIKPKSA-N

Data  45 IC50  2 EC50

PDB links: 2 PDB IDs match 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 47 hits for monomerid = 112499   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6.90nMpH: 7.4 T: 2°CAssay Description:Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  74nMAssay Description:Inhibition of GST-tagged ERBB4 (unknown origin) expressed in insect cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  83.7nMpH: 7.4 T: 2°CAssay Description:Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of EGFR (unknown origin) by ELISA methodMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  3.57E+3nMAssay Description:Irreversible inhibition of human recombinant GST-tagged JAK3 expressed in baculovirus infected Sf9 insect cells assessed as reduction in polyglutamic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  110nMAssay Description:Inhibition of Src (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  74nMAssay Description:Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  46nMAssay Description:Irreversible inhibition of GST-tagged ERBB2 (unknown origin) (Ile-675 to Val-1256 residues) expressed in baculovirus infected Sf9 insect cells assess...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  94nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  74nMAssay Description:Inhibition of GST-tagged ErbB4 expressed in sf9 cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  46nMAssay Description:Inhibition of GST-tagged ErbB2 expressed in sf9 cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of GST-tagged EGFR expressed in sf9 cells by ELISAMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  46nMAssay Description:Inhibition of GST-tagged human HER2 catalytic domain expressed in insect cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of GST-tagged human EGFR catalytic domain expressed in insect cellsMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  11nMAssay Description:Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  0.630nMAssay Description:Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  42nMAssay Description:Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of EGFR (unknown origin) expressed in insect cells by ELISAMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  46nMAssay Description:Inhibition of HER2 (unknown origin) expressed in insect cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  9.40E+4nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  3.57E+6nMAssay Description:Inhibition of JAK3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  1.10E+5nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human GST-fused EGFR kinase domain expressed in baculovirus expression system measured after 30 mins by ELISAMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  46nMAssay Description:Inhibition of human GST-fused HER2 kinase domain expressed in baculovirus expression system measured after 30 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor/Interleukin-3(Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  978nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  0.640nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-18,20-1210](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  0.0100nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-18,20-1210,T790M](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  56nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-18,20-1210,C797S](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  1.60nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-18,20-1210,T790M,C797S](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  1.17E+3nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  0.0300nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  61nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R,C797S](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6.90nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R,T790M,C797S](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  1.60E+3nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  440nMAssay Description:Inhibition of EGFR L858R/T790M mutant (unknown origin) in human NCI-H1975 cellsMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataEC50:  22nMAssay Description:Inhibition of EGF-stimulated wild-type EGFR phosphorylation in human A-431 cells incubated for 2 hrs by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataEC50:  40nMAssay Description:Inhibition of EGFR T790M mutant phosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of EGFR phosphorylation (unknown origin)More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  45nMAssay Description:Inhibition of HER2 phosphorylation (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Warner-Lambert

US Patent
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6nMAssay Description:Inhibition of GST-tagged EGFR (unknown origin) expressed in insect cells by ELISAMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  46nMAssay Description:Inhibition of GST-tagged ERBB2 (unknown origin) expressed in insect cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  16.7nMpH: 7.4 T: 2°CAssay Description:Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...More data for this Ligand-Target Pair
In DepthDetails US Patent