Compile Data Set for Download or QSAR

Found 85 hits Enz. Inhib. hit(s) with all data for entry = 50000297   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	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	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245603 (CHEMBL4096207) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H37N5O5S/c1-4-33(42)38-29-20-25(12-13-27(29)35(44)41-14-16-46-17-15-41)37-30-18-24(21-40(3)36(30)45)26-9-7-10-28(22(26)2)39-34(43)32-19-23-8-5-6-11-31(23)47-32/h4,7,9-10,12-13,18-21,37H,1,5-6,8,11,14-17H2,2-3H3,(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245586 (CHEMBL4077123) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245587 (CHEMBL4077064 | US10000483, Compound II-4) Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50161162 (AVL-292 | CC-292 | Spebrutinib | US10596172, Compo...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-9-11-7-8-21-14-6-5-10-3-1-2-4-12(10)16(14)15(11)18-17(13)22-19(24)23-18/h1-4,9,14,16,21H,5-8H2,(H2,22,23,24)/t14-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50020471 (CHEMBL3290142) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1 Show InChI InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245588 (CHEMBL4085868) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H38N6O5/c1-6-33(43)38-31-21-26(12-15-29(31)35(45)42-16-18-47-19-17-42)37-32-20-25(22-41(5)36(32)46)28-8-7-9-30(23(28)2)39-34(44)24-10-13-27(14-11-24)40(3)4/h6-15,20-22,37H,1,16-19H2,2-5H3,(H,38,43)(H,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50403056 (CHEMBL2216827 | US10596172, Compound I-342 | US108...) Show SMILES CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1 Show InChI InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245588 (CHEMBL4085868) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H38N6O5/c1-6-33(43)38-31-21-26(12-15-29(31)35(45)42-16-18-47-19-17-42)37-32-20-25(22-41(5)36(32)46)28-8-7-9-30(23(28)2)39-34(44)24-10-13-27(14-11-24)40(3)4/h6-15,20-22,37H,1,16-19H2,2-5H3,(H,38,43)(H,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245586 (CHEMBL4077123) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					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 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50161162 (AVL-292 | CC-292 | Spebrutinib | US10596172, Compo...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-9-11-7-8-21-14-6-5-10-3-1-2-4-12(10)16(14)15(11)18-17(13)22-19(24)23-18/h1-4,9,14,16,21H,5-8H2,(H2,22,23,24)/t14-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50403056 (CHEMBL2216827 | US10596172, Compound I-342 | US108...) Show SMILES CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1 Show InChI InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245587 (CHEMBL4077064 | US10000483, Compound II-4) Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245603 (CHEMBL4096207) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H37N5O5S/c1-4-33(42)38-29-20-25(12-13-27(29)35(44)41-14-16-46-17-15-41)37-30-18-24(21-40(3)36(30)45)26-9-7-10-28(22(26)2)39-34(43)32-19-23-8-5-6-11-31(23)47-32/h4,7,9-10,12-13,18-21,37H,1,5-6,8,11,14-17H2,2-3H3,(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245613 (CHEMBL4074840) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C38H41N5O4/c1-7-34(44)40-32-22-28(17-18-30(32)36(46)43-19-8-9-20-43)39-33-21-26(23-42(6)37(33)47)29-11-10-12-31(24(29)2)41-35(45)25-13-15-27(16-14-25)38(3,4)5/h7,10-18,21-23,39H,1,8-9,19-20H2,2-6H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245602 (CHEMBL4088999) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCCC(O)C3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C39H43N5O5/c1-7-35(46)41-33-21-28(17-18-31(33)37(48)44-19-9-10-29(45)23-44)40-34-20-26(22-43(6)38(34)49)30-11-8-12-32(24(30)2)42-36(47)25-13-15-27(16-14-25)39(3,4)5/h7-8,11-18,20-22,29,40,45H,1,9-10,19,23H2,2-6H3,(H,41,46)(H,42,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245635 (CHEMBL4076543) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C35H38N4O4/c1-23-29(7-6-8-30(23)37-32(40)24-9-13-27(14-10-24)35(2,3)4)26-21-31(34(42)38(5)22-26)36-28-15-11-25(12-16-28)33(41)39-17-19-43-20-18-39/h6-16,21-22,36H,17-20H2,1-5H3,(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50020471 (CHEMBL3290142) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1 Show InChI InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50020471 (CHEMBL3290142) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1 Show InChI InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245642 (CHEMBL4059850) Show SMILES CC(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C37H39N5O5/c1-6-34(43)39-32-21-28(14-15-30(32)36(45)42-16-18-47-19-17-42)38-33-20-27(22-41(5)37(33)46)29-8-7-9-31(24(29)4)40-35(44)26-12-10-25(11-13-26)23(2)3/h6-15,20-23,38H,1,16-19H2,2-5H3,(H,39,43)(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245614 (CHEMBL4066223) Show SMILES CN(C)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C Show InChI InChI=1S/C36H39N5O4/c1-9-32(42)38-30-20-26(17-18-28(30)34(44)40(6)7)37-31-19-24(21-41(8)35(31)45)27-11-10-12-29(22(27)2)39-33(43)23-13-15-25(16-14-23)36(3,4)5/h9-21,37H,1H2,2-8H3,(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245612 (CHEMBL4101519) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)NC3CC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C37H39N5O4/c1-7-33(43)40-31-20-27(17-18-29(31)35(45)39-26-15-16-26)38-32-19-24(21-42(6)36(32)46)28-9-8-10-30(22(28)2)41-34(44)23-11-13-25(14-12-23)37(3,4)5/h7-14,17-21,26,38H,1,15-16H2,2-6H3,(H,39,45)(H,40,43)(H,41,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50245587 (CHEMBL4077064 | US10000483, Compound II-4) Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245617 (CHEMBL4067226) Show SMILES Cc1c(NC(=O)c2ccc3CCCCc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C38H39N5O5/c1-4-35(44)40-33-22-29(14-15-31(33)37(46)43-16-18-48-19-17-43)39-34-21-28(23-42(3)38(34)47)30-10-7-11-32(24(30)2)41-36(45)27-13-12-25-8-5-6-9-26(25)20-27/h4,7,10-15,20-23,39H,1,5-6,8-9,16-19H2,2-3H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245632 (CHEMBL4077618) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)CCl)c2)c(=O)n(C)c1 Show InChI InChI=1S/C37H40ClN5O5/c1-23-28(7-6-8-30(23)41-34(45)24-9-11-26(12-10-24)37(2,3)4)25-19-32(36(47)42(5)22-25)39-27-13-14-29(31(20-27)40-33(44)21-38)35(46)43-15-17-48-18-16-43/h6-14,19-20,22,39H,15-18,21H2,1-5H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245646 (CHEMBL4066966) Show SMILES COC1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C Show InChI InChI=1S/C40H45N5O5/c1-8-36(46)42-34-23-29(16-17-32(34)38(48)45-20-18-30(50-7)19-21-45)41-35-22-27(24-44(6)39(35)49)31-10-9-11-33(25(31)2)43-37(47)26-12-14-28(15-13-26)40(3,4)5/h8-17,22-24,30,41H,1,18-21H2,2-7H3,(H,42,46)(H,43,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245636 (CHEMBL4071818) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C43H50N6O6/c1-10-37(50)45-35-25-31(18-19-33(35)39(52)48-20-22-49(23-21-48)41(54)55-43(6,7)8)44-36-24-29(26-47(9)40(36)53)32-12-11-13-34(27(32)2)46-38(51)28-14-16-30(17-15-28)42(3,4)5/h10-19,24-26,44H,1,20-23H2,2-9H3,(H,45,50)(H,46,51)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50020471 (CHEMBL3290142) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1 Show InChI InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged wild-type EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using p...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245628 (CHEMBL4064326) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(F)(F)F)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C35H32F3N5O5/c1-4-31(44)40-29-19-25(12-13-27(29)33(46)43-14-16-48-17-15-43)39-30-18-23(20-42(3)34(30)47)26-6-5-7-28(21(26)2)41-32(45)22-8-10-24(11-9-22)35(36,37)38/h4-13,18-20,39H,1,14-17H2,2-3H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245627 (CHEMBL4093610) Show SMILES Cc1c(NC(=O)c2ccc(cc2)N2CCCC2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C38H40N6O5/c1-4-35(45)40-33-23-28(12-15-31(33)37(47)44-18-20-49-21-19-44)39-34-22-27(24-42(3)38(34)48)30-8-7-9-32(25(30)2)41-36(46)26-10-13-29(14-11-26)43-16-5-6-17-43/h4,7-15,22-24,39H,1,5-6,16-21H2,2-3H3,(H,40,45)(H,41,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245639 (CHEMBL4088485) Show SMILES Cc1c(NC(=O)c2ccc3OCCOc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H35N5O7/c1-4-33(42)38-29-20-25(9-10-27(29)35(44)41-12-14-46-15-13-41)37-30-18-24(21-40(3)36(30)45)26-6-5-7-28(22(26)2)39-34(43)23-8-11-31-32(19-23)48-17-16-47-31/h4-11,18-21,37H,1,12-17H2,2-3H3,(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245630 (CHEMBL4074645) Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C35H35N5O5/c1-5-32(41)37-30-20-26(13-14-28(30)34(43)40-15-17-45-18-16-40)36-31-19-25(21-39(4)35(31)44)27-7-6-8-29(23(27)3)38-33(42)24-11-9-22(2)10-12-24/h5-14,19-21,36H,1,15-18H2,2-4H3,(H,37,41)(H,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	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	123	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged wild-type EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using p...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245604 (CHEMBL4076040) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C Show InChI InChI=1S/C39H44N6O4/c1-8-35(46)41-33-23-29(16-17-31(33)37(48)45-20-18-43(6)19-21-45)40-34-22-27(24-44(7)38(34)49)30-10-9-11-32(25(30)2)42-36(47)26-12-14-28(15-13-26)39(3,4)5/h8-17,22-24,40H,1,18-21H2,2-7H3,(H,41,46)(H,42,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB Reactome pathway KEGG 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	146	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245643 (CHEMBL4081428) Show SMILES CCC(=O)Nc1cc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)ccc1C(=O)N1CCOCC1 Show InChI InChI=1S/C38H43N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h8-16,21-23,39H,7,17-20H2,1-6H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245599 (CHEMBL4105457) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCC(O)CC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C37H40N6O5/c1-6-34(45)39-32-21-26(12-15-30(32)36(47)43-18-16-28(44)17-19-43)38-33-20-25(22-42(5)37(33)48)29-8-7-9-31(23(29)2)40-35(46)24-10-13-27(14-11-24)41(3)4/h6-15,20-22,28,38,44H,1,16-19H2,2-5H3,(H,39,45)(H,40,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245637 (CHEMBL4093800) Show SMILES COC(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C Show InChI InChI=1S/C35H36N4O5/c1-8-31(40)37-29-19-25(16-17-27(29)34(43)44-7)36-30-18-23(20-39(6)33(30)42)26-10-9-11-28(21(26)2)38-32(41)22-12-14-24(15-13-22)35(3,4)5/h8-20,36H,1H2,2-7H3,(H,37,40)(H,38,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245629 (CHEMBL4081768) Show SMILES CCc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H37N5O5/c1-5-24-10-12-25(13-11-24)34(43)39-30-9-7-8-28(23(30)3)26-20-32(36(45)40(4)22-26)37-27-14-15-29(31(21-27)38-33(42)6-2)35(44)41-16-18-46-19-17-41/h6-15,20-22,37H,2,5,16-19H2,1,3-4H3,(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245634 (CHEMBL4063526) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(cc2NC(=O)C=C)C(=O)N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C38H41N5O5/c1-7-34(44)40-32-21-26(36(46)43-17-19-48-20-18-43)13-16-31(32)39-33-22-27(23-42(6)37(33)47)29-9-8-10-30(24(29)2)41-35(45)25-11-14-28(15-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245645 (CHEMBL4103674) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCCC(O)C3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C37H40N6O5/c1-6-34(45)39-32-20-26(14-17-30(32)36(47)43-18-8-9-28(44)22-43)38-33-19-25(21-42(5)37(33)48)29-10-7-11-31(23(29)2)40-35(46)24-12-15-27(16-13-24)41(3)4/h6-7,10-17,19-21,28,38,44H,1,8-9,18,22H2,2-5H3,(H,39,45)(H,40,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245626 (CHEMBL4094515) Show SMILES Cc1c(NC(=O)c2ccc(cc2)N2CCOCC2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C38H40N6O6/c1-4-35(45)40-33-23-28(10-13-31(33)37(47)44-16-20-50-21-17-44)39-34-22-27(24-42(3)38(34)48)30-6-5-7-32(25(30)2)41-36(46)26-8-11-29(12-9-26)43-14-18-49-19-15-43/h4-13,22-24,39H,1,14-21H2,2-3H3,(H,40,45)(H,41,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245618 (CHEMBL4071893) Show SMILES Cc1c(NC(=O)c2ccc3OCOc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C35H33N5O7/c1-4-32(41)37-28-18-24(9-10-26(28)34(43)40-12-14-45-15-13-40)36-29-16-23(19-39(3)35(29)44)25-6-5-7-27(21(25)2)38-33(42)22-8-11-30-31(17-22)47-20-46-30/h4-11,16-19,36H,1,12-15,20H2,2-3H3,(H,37,41)(H,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50245603 (CHEMBL4096207) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H37N5O5S/c1-4-33(42)38-29-20-25(12-13-27(29)35(44)41-14-16-46-17-15-41)37-30-18-24(21-40(3)36(30)45)26-9-7-10-28(22(26)2)39-34(43)32-19-23-8-5-6-11-31(23)47-32/h4,7,9-10,12-13,18-21,37H,1,5-6,8,11,14-17H2,2-3H3,(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245615 (CHEMBL4068683) Show SMILES Cc1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C Show InChI InChI=1S/C34H36N4O3/c1-8-31(39)36-29-19-26(17-12-21(29)2)35-30-18-24(20-38(7)33(30)41)27-10-9-11-28(22(27)3)37-32(40)23-13-15-25(16-14-23)34(4,5)6/h8-20,35H,1H2,2-7H3,(H,36,39)(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161162 (AVL-292 | CC-292 | Spebrutinib | US10596172, Compo...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-9-11-7-8-21-14-6-5-10-3-1-2-4-12(10)16(14)15(11)18-17(13)22-19(24)23-18/h1-4,9,14,16,21H,5-8H2,(H2,22,23,24)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged wild-type EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using p...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245598 (CHEMBL4079595) Show SMILES COC1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)N(C)C)c2C)cc1NC(=O)C=C Show InChI InChI=1S/C38H42N6O5/c1-7-35(45)40-33-22-27(13-16-31(33)37(47)44-19-17-29(49-6)18-20-44)39-34-21-26(23-43(5)38(34)48)30-9-8-10-32(24(30)2)41-36(46)25-11-14-28(15-12-25)42(3)4/h7-16,21-23,29,39H,1,17-20H2,2-6H3,(H,40,45)(H,41,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	596	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245601 (CHEMBL4069186) Show SMILES COCCNC(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)N(C)C)c2C)cc1NC(=O)C=C Show InChI InChI=1S/C35H38N6O5/c1-7-32(42)38-30-20-25(13-16-28(30)34(44)36-17-18-46-6)37-31-19-24(21-41(5)35(31)45)27-9-8-10-29(22(27)2)39-33(43)23-11-14-26(15-12-23)40(3)4/h7-16,19-21,37H,1,17-18H2,2-6H3,(H,36,44)(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	667	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair

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