BindingDB PrimarySearch

null

SMILES: Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=XYFPWWZEPKGCCK-GOSISDBHSA-N

PDB links: 7 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 361 hits for monomerid = 50357312
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
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of BLK				J Med Chem 55: 4539-50 (2012) Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of PF-06658607 binding to BTK in human Ramos cells after 1 hr by gel-based ABPP assay				Nat Rev Drug Discov 16: 424-440 (2017) Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human BLK using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				J Med Chem 61: 4608-4627 (2018) Article DOI: 10.1021/acs.jmedchem.8b00441 BindingDB Entry DOI: 10.7270/Q2B85BRC
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human TEC using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				J Med Chem 61: 4608-4627 (2018) Article DOI: 10.1021/acs.jmedchem.8b00441 BindingDB Entry DOI: 10.7270/Q2B85BRC
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin)				Eur J Med Chem 142: 493-505 (2017) Article DOI: 10.1016/j.ejmech.2017.09.024 BindingDB Entry DOI: 10.7270/Q2N87DG5
Dalian Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) after 60 mins by FRET assay				J Med Chem 63: 441-469 (2020) Article DOI: 10.1021/acs.jmedchem.9b00640 BindingDB Entry DOI: 10.7270/Q2HD800F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human BMX using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687 BindingDB Entry DOI: 10.7270/Q2RJ4NXF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human BMX using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687 BindingDB Entry DOI: 10.7270/Q2RJ4NXF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
Carna Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TEC (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687 BindingDB Entry DOI: 10.7270/Q2RJ4NXF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TEC (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687 BindingDB Entry DOI: 10.7270/Q2RJ4NXF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
HANGZHOU HERTZ PHARMACEUTICAL CO., LTD. US Patent					Assay Description Preparation of Compounds to be Tested:1) Using DMSO to prepare 50� compound stock solutions (same as the stock solution in Example 34) for later use;...				US Patent US10711006 (2020) BindingDB Entry DOI: 10.7270/Q2WH2T10
HANGZHOU HERTZ PHARMACEUTICAL CO., LTD. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK3 and BTK kinases inhibitory activities were measured for the compounds prepared in the Examples through in vitro analysis on the ADP Glow (Glo) p...				Citation and Details BindingDB Entry DOI: 10.7270/Q23F4SV8
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center Curated by ChEMBL					Assay Description Inhibition of HER4 (unknown origin)				Eur J Med Chem 169: 121-143 (2019) Article DOI: 10.1016/j.ejmech.2019.02.077 BindingDB Entry DOI: 10.7270/Q2PR80BX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by ELISA				Bioorg Med Chem 27: 3390-3395 (2019) Article DOI: 10.1016/j.bmc.2019.06.023 BindingDB Entry DOI: 10.7270/Q2WS8XNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) assessed as reduction in phosphorylation of coumarin and fluorescein-labeled FRET peptide substrate incubated for ...				Bioorg Med Chem Lett 26: 3052-9 (2016) Article DOI: 10.1016/j.bmcl.2016.05.014 BindingDB Entry DOI: 10.7270/Q2VT1V1T
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by ADP-gloassay				Eur J Med Chem 164: 304-316 (2019) Article DOI: 10.1016/j.ejmech.2018.12.055 BindingDB Entry DOI: 10.7270/Q23J3HF7
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Specifically, the inhibitory activities against JAK3 and BTK kinase were measured using a JAK3 kinase assay kit (Promega, V9441) and a BTK kinase ass...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92M0
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK3 and BTK kinases inhibitory activities were measured for the compounds prepared in the Examples through in vitro analysis on the ADP Glow (Glo) p...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43RF
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127757 BindingDB Entry DOI: 10.7270/Q27P933P
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00030 BindingDB Entry DOI: 10.7270/Q2FX7FHQ
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	7.4	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...				US Patent US10112922 (2018) BindingDB Entry DOI: 10.7270/Q26H4KGG
Centaurus BioPharma Co., Ltd. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687 BindingDB Entry DOI: 10.7270/Q2RJ4NXF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687 BindingDB Entry DOI: 10.7270/Q2RJ4NXF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of BMX (unknown origin)				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
PHARMACYCLICS LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...				US Patent US9181263 (2015) BindingDB Entry DOI: 10.7270/Q2765D5Z
PHARMACYCLICS LLC US Patent					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BMX (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2017.12.079 BindingDB Entry DOI: 10.7270/Q2P272TR
TBA					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114009 BindingDB Entry DOI: 10.7270/Q2ZK5MN1
TBA					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using poly-Glu-Tyr (4:1) as substrate incubated for 1 hr by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02208 BindingDB Entry DOI: 10.7270/Q2K93CFH
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of BMX				J Med Chem 55: 4539-50 (2012) Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacyclics LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...				US Patent US9278100 (2016) BindingDB Entry DOI: 10.7270/Q20C4TMX
Pharmacyclics LLC US Patent					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of His-tagged recombinant full length human His-tagged BMX cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 ...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3
TBA					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00324 BindingDB Entry DOI: 10.7270/Q2S186HB
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin) by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112339 BindingDB Entry DOI: 10.7270/Q2DF6VZ0
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-tagged human EGFR (668 to 1210 residues) expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as substrate incubated...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02208 BindingDB Entry DOI: 10.7270/Q2K93CFH
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay 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...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01559 BindingDB Entry DOI: 10.7270/Q27P9361
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction of IgM stimulated PLCgamma2 (Y1217) phosphorylation after 24 hrs by western blot assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal His tagged BTK expressed in baculovirus infected Sf9 cells using poly (4:1 Glu, Tyr) as substr...				Bioorg Med Chem 26: 4537-4543 (2018) Article DOI: 10.1016/j.bmc.2018.07.047 BindingDB Entry DOI: 10.7270/Q20C4ZDW
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) by HTRF assay				J Med Chem 62: 2843-2848 (2019) Article DOI: 10.1021/acs.jmedchem.9b00102 BindingDB Entry DOI: 10.7270/Q24J0JM2
TU Dortmund University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BMX (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00317 BindingDB Entry DOI: 10.7270/Q20K2D40
TBA					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubated in presence of [gamma33P]ATP by image analyser				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112636 BindingDB Entry DOI: 10.7270/Q2V98CTT
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type BTK (unknown origin) in presence of 1 mM ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK (Invitrogen, catalog number: PR5442A), HTRF-TK kit (Cisbio, catalog number: 62TK0PEC), MgCl2 (SIGMA, catalog number: 63020-1L), ATP (Sigma, catal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PG1VXG
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue incubated for 24 hrs by Western blot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BLK (unknown origin) by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112339 BindingDB Entry DOI: 10.7270/Q2DF6VZ0
TBA					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				J Med Chem 61: 4608-4627 (2018) Article DOI: 10.1021/acs.jmedchem.8b00441 BindingDB Entry DOI: 10.7270/Q2B85BRC
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) in the presence of ATP by caliper mobility shift assay				Eur J Med Chem 169: 121-143 (2019) Article DOI: 10.1016/j.ejmech.2019.02.077 BindingDB Entry DOI: 10.7270/Q2PR80BX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	25
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...				US Patent US9580432 (2017) BindingDB Entry DOI: 10.7270/Q2NS0WZR
TAIHO PHARMACEUTICAL CO., LTD. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
CHENGDU BRILLIANT PHARMACEUTICAL CO., LTD.; CHENGDU HIGHBRED PHARMACEUTICAL CO., LTD. US Patent					Assay Description 1: Test Principle:Mobility-Shift Assay, which is microfluidic chip technology, applies the basic concept of capillary electrophoresis to microfluidic...				US Patent US10793576 (2020) BindingDB Entry DOI: 10.7270/Q2N3011D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB \| PCI-32765 \| US10124003, Ref. Ex. Compo...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human ErbB2 using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				J Med Chem 61: 4608-4627 (2018) Article DOI: 10.1021/acs.jmedchem.8b00441 BindingDB Entry DOI: 10.7270/Q2B85BRC
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair

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