Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50002896   

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	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464517 (CHEMBL4294772) Show SMILES CCN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2Cl)CC1 Show InChI InChI=1S/C28H33Cl2N7O2/c1-3-26(38)32-20-7-5-8-21(17-20)33-27-24(30)19-31-28(35-27)34-22-9-10-25(23(29)18-22)39-16-6-11-37-14-12-36(4-2)13-15-37/h3,5,7-10,17-19H,1,4,6,11-16H2,2H3,(H,32,38)(H2,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464516 (CHEMBL4290692) Show SMILES Clc1cnc(Nc2ccc(OCCCN3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H29ClN6O3/c1-2-24(34)29-20-5-3-6-21(17-20)30-25-23(27)18-28-26(32-25)31-19-7-9-22(10-8-19)36-14-4-11-33-12-15-35-16-13-33/h2-3,5-10,17-18H,1,4,11-16H2,(H,29,34)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464521 (CHEMBL4289281) Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H31ClN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(36-2)24(17-21)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464524 (CHEMBL4290449) Show SMILES COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H31FN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(36-2)24(17-21)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464526 (CHEMBL4284156) Show SMILES Clc1cnc(Nc2ccc(OCCCN3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H28Cl2N6O3/c1-2-24(35)30-18-5-3-6-19(15-18)31-25-22(28)17-29-26(33-25)32-20-7-8-23(21(27)16-20)37-12-4-9-34-10-13-36-14-11-34/h2-3,5-8,15-17H,1,4,9-14H2,(H,30,35)(H2,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464513 (CHEMBL4286900) Show SMILES Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H24Cl2N6O4/c1-2-22(34)29-16-4-3-5-17(12-16)30-24-20(27)14-28-25(32-24)31-18-6-7-21(19(26)13-18)37-15-23(35)33-8-10-36-11-9-33/h2-7,12-14H,1,8-11,15H2,(H,29,34)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464521 (CHEMBL4289281) Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H31ClN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(36-2)24(17-21)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464516 (CHEMBL4290692) Show SMILES Clc1cnc(Nc2ccc(OCCCN3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H29ClN6O3/c1-2-24(34)29-20-5-3-6-21(17-20)30-25-23(27)18-28-26(32-25)31-19-7-9-22(10-8-19)36-14-4-11-33-12-15-35-16-13-33/h2-3,5-10,17-18H,1,4,11-16H2,(H,29,34)(H2,28,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464517 (CHEMBL4294772) Show SMILES CCN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2Cl)CC1 Show InChI InChI=1S/C28H33Cl2N7O2/c1-3-26(38)32-20-7-5-8-21(17-20)33-27-24(30)19-31-28(35-27)34-22-9-10-25(23(29)18-22)39-16-6-11-37-14-12-36(4-2)13-15-37/h3,5,7-10,17-19H,1,4,6,11-16H2,2H3,(H,32,38)(H2,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464524 (CHEMBL4290449) Show SMILES COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H31FN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(36-2)24(17-21)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464515 (CHEMBL4289688) Show SMILES Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H25ClN6O4/c1-2-22(33)28-18-4-3-5-19(14-18)29-24-21(26)15-27-25(31-24)30-17-6-8-20(9-7-17)36-16-23(34)32-10-12-35-13-11-32/h2-9,14-15H,1,10-13,16H2,(H,28,33)(H2,27,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464526 (CHEMBL4284156) Show SMILES Clc1cnc(Nc2ccc(OCCCN3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H28Cl2N6O3/c1-2-24(35)30-18-5-3-6-19(15-18)31-25-22(28)17-29-26(33-25)32-20-7-8-23(21(27)16-20)37-12-4-9-34-10-13-36-14-11-34/h2-3,5-8,15-17H,1,4,9-14H2,(H,30,35)(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464515 (CHEMBL4289688) Show SMILES Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H25ClN6O4/c1-2-22(33)28-18-4-3-5-19(14-18)29-24-21(26)15-27-25(31-24)30-17-6-8-20(9-7-17)36-16-23(34)32-10-12-35-13-11-32/h2-9,14-15H,1,10-13,16H2,(H,28,33)(H2,27,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464518 (CHEMBL4292468) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H31ClN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(24(17-21)36-2)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464513 (CHEMBL4286900) Show SMILES Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H24Cl2N6O4/c1-2-22(34)29-16-4-3-5-17(12-16)30-24-20(27)14-28-25(32-24)31-18-6-7-21(19(26)13-18)37-15-23(35)33-8-10-36-11-9-33/h2-7,12-14H,1,8-11,15H2,(H,29,34)(H2,28,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464522 (CHEMBL4280709) Show SMILES COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCC(=O)N1CCOCC1 Show InChI InChI=1S/C26H27FN6O5/c1-3-23(34)29-17-5-4-6-18(13-17)30-25-20(27)15-28-26(32-25)31-19-7-8-21(22(14-19)36-2)38-16-24(35)33-9-11-37-12-10-33/h3-8,13-15H,1,9-12,16H2,2H3,(H,29,34)(H2,28,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464514 (CHEMBL4278652) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCC(=O)N1CCOCC1 Show InChI InChI=1S/C26H27ClN6O5/c1-3-23(34)29-17-5-4-6-18(13-17)30-25-20(27)15-28-26(32-25)31-19-7-8-21(22(14-19)36-2)38-16-24(35)33-9-11-37-12-10-33/h3-8,13-15H,1,9-12,16H2,2H3,(H,29,34)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					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	16	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464522 (CHEMBL4280709) Show SMILES COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCC(=O)N1CCOCC1 Show InChI InChI=1S/C26H27FN6O5/c1-3-23(34)29-17-5-4-6-18(13-17)30-25-20(27)15-28-26(32-25)31-19-7-8-21(22(14-19)36-2)38-16-24(35)33-9-11-37-12-10-33/h3-8,13-15H,1,9-12,16H2,2H3,(H,29,34)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464514 (CHEMBL4278652) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCC(=O)N1CCOCC1 Show InChI InChI=1S/C26H27ClN6O5/c1-3-23(34)29-17-5-4-6-18(13-17)30-25-20(27)15-28-26(32-25)31-19-7-8-21(22(14-19)36-2)38-16-24(35)33-9-11-37-12-10-33/h3-8,13-15H,1,9-12,16H2,2H3,(H,29,34)(H2,28,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (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 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	23	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464518 (CHEMBL4292468) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H31ClN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(24(17-21)36-2)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464520 (CHEMBL4287960) Show SMILES CN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1 Show InChI InChI=1S/C28H34ClN7O2/c1-4-26(37)31-21-7-5-8-22(18-21)32-27-24(29)19-30-28(34-27)33-25-10-9-23(17-20(25)2)38-16-6-11-36-14-12-35(3)13-15-36/h4-5,7-10,17-19H,1,6,11-16H2,2-3H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464525 (CHEMBL4279066) Show SMILES Cc1cc(OCCCN2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1 Show InChI InChI=1S/C27H31ClN6O3/c1-3-25(35)30-20-6-4-7-21(17-20)31-26-23(28)18-29-27(33-26)32-24-9-8-22(16-19(24)2)37-13-5-10-34-11-14-36-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464523 (CHEMBL4277319) Show SMILES CCN1CCN(CCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1 Show InChI InChI=1S/C29H36FN7O2/c1-4-27(38)32-22-8-6-9-23(19-22)33-28-25(30)20-31-29(35-28)34-26-11-10-24(18-21(26)3)39-17-7-12-37-15-13-36(5-2)14-16-37/h4,6,8-11,18-20H,1,5,7,12-17H2,2-3H3,(H,32,38)(H2,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464520 (CHEMBL4287960) Show SMILES CN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1 Show InChI InChI=1S/C28H34ClN7O2/c1-4-26(37)31-21-7-5-8-22(18-21)32-27-24(29)19-30-28(34-27)33-25-10-9-23(17-20(25)2)38-16-6-11-36-14-12-35(3)13-15-36/h4-5,7-10,17-19H,1,6,11-16H2,2-3H3,(H,31,37)(H2,30,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464525 (CHEMBL4279066) Show SMILES Cc1cc(OCCCN2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1 Show InChI InChI=1S/C27H31ClN6O3/c1-3-25(35)30-20-6-4-7-21(17-20)31-26-23(28)18-29-27(33-26)32-24-9-8-22(16-19(24)2)37-13-5-10-34-11-14-36-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464523 (CHEMBL4277319) Show SMILES CCN1CCN(CCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1 Show InChI InChI=1S/C29H36FN7O2/c1-4-27(38)32-22-8-6-9-23(19-22)33-28-25(30)20-31-29(35-28)34-26-11-10-24(18-21(26)3)39-17-7-12-37-15-13-36(5-2)14-16-37/h4,6,8-11,18-20H,1,5,7,12-17H2,2-3H3,(H,32,38)(H2,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464519 (CHEMBL4284578) Show SMILES CCN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1 Show InChI InChI=1S/C29H36ClN7O2/c1-4-27(38)32-22-8-6-9-23(19-22)33-28-25(30)20-31-29(35-28)34-26-11-10-24(18-21(26)3)39-17-7-12-37-15-13-36(5-2)14-16-37/h4,6,8-11,18-20H,1,5,7,12-17H2,2-3H3,(H,32,38)(H2,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464519 (CHEMBL4284578) Show SMILES CCN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1 Show InChI InChI=1S/C29H36ClN7O2/c1-4-27(38)32-22-8-6-9-23(19-22)33-28-25(30)20-31-29(35-28)34-26-11-10-24(18-21(26)3)39-17-7-12-37-15-13-36(5-2)14-16-37/h4,6,8-11,18-20H,1,5,7,12-17H2,2-3H3,(H,32,38)(H2,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair