BindingDB PrimarySearch

BDBM112499 DACOMITINIB::US8623883, No. 2

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

InChI Key: InChIKey=LVXJQMNHJWSHET-AATRIKPKSA-N

Data: 27 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 112499
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	7.4	25
Warner-Lambert Company LLC US Patent					Assay 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, ...				US Patent US8623883 (2014) BindingDB Entry DOI: 10.7270/Q29885P7
Warner-Lambert Company LLC US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	83.7	n/a	n/a	n/a	n/a	7.4	25
Warner-Lambert Company LLC US Patent					Assay 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, ...				US Patent US8623883 (2014) BindingDB Entry DOI: 10.7270/Q29885P7
Warner-Lambert Company LLC US Patent					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Qilu Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) by ELISA method				Eur J Med Chem 102: 445-63 (2015) BindingDB Entry DOI: 10.7270/Q2TM7CZ1
Qilu Pharmaceutical Co, Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of human recombinant GST-tagged JAK3 expressed in baculovirus infected Sf9 insect cells assessed as reduction in polyglutamic...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Src (unknown origin)				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB2 (unknown origin) (Ile-675 to Val-1256 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of LCK (unknown origin)				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of GST-tagged ErbB4 expressed in sf9 cells by ELISA				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
Covalution Pharma BV Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of GST-tagged ErbB2 expressed in sf9 cells by ELISA				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
Covalution Pharma BV Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of GST-tagged EGFR expressed in sf9 cells by ELISA				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
Covalution Pharma BV Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human HER2 catalytic domain expressed in insect cells				Eur J Med Chem 142: 131-151 (2017) Article DOI: 10.1016/j.ejmech.2017.07.023 BindingDB Entry DOI: 10.7270/Q2JH3PWT
Ain Shams University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR catalytic domain expressed in insect cells				Eur J Med Chem 142: 131-151 (2017) Article DOI: 10.1016/j.ejmech.2017.07.023 BindingDB Entry DOI: 10.7270/Q2JH3PWT
Ain Shams University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay				J Med Chem 56: 7025-48 (2013) Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay				J Med Chem 56: 7025-48 (2013) Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay				J Med Chem 56: 7025-48 (2013) Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) expressed in insect cells by ELISA				Eur J Med Chem 170: 55-72 (2019) Article DOI: 10.1016/j.ejmech.2019.03.004
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 (unknown origin) expressed in insect cells by ELISA				Eur J Med Chem 170: 55-72 (2019) Article DOI: 10.1016/j.ejmech.2019.03.004
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of LCK (unknown origin)				Eur J Med Chem 170: 55-72 (2019) Article DOI: 10.1016/j.ejmech.2019.03.004
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.57E+6	n/a	n/a	n/a	n/a	n/a	n/a
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Eur J Med Chem 170: 55-72 (2019) Article DOI: 10.1016/j.ejmech.2019.03.004
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of SRC (unknown origin)				Eur J Med Chem 170: 55-72 (2019) Article DOI: 10.1016/j.ejmech.2019.03.004
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of South China Curated by ChEMBL					Assay Description Inhibition of human GST-fused EGFR kinase domain expressed in baculovirus expression system measured after 30 mins by ELISA				Bioorg Med Chem 27: 568-577 (2019) Article DOI: 10.1016/j.bmc.2018.12.032
University of South China Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of South China Curated by ChEMBL					Assay Description Inhibition of human GST-fused HER2 kinase domain expressed in baculovirus expression system measured after 30 mins by ELISA				Bioorg Med Chem 27: 568-577 (2019) Article DOI: 10.1016/j.bmc.2018.12.032
University of South China Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM112499 (DACOMITINIB \| US8623883, No. 2) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	16.7	n/a	n/a	n/a	n/a	7.4	25
Warner-Lambert Company LLC US Patent					Assay 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, ...				US Patent US8623883 (2014) BindingDB Entry DOI: 10.7270/Q29885P7
Warner-Lambert Company LLC US Patent					More data for this Ligand-Target Pair