Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50046650   

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 JAK2 (Homo sapiens (Human))	BDBM130257 (US8815840, 17) Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)cc1)C(N)=O Show InChI InChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM130256 (US8815840, 15) Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C24H20ClN3O3/c25-17-3-1-2-14(10-17)16-12-19-18-11-15(24(30)28-6-8-31-9-7-28)4-5-21(18)27-22(19)20(13-16)23(26)29/h1-5,10-13,27H,6-9H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50123559 (CHEMBL3622196) Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C25H23N3O4/c1-31-18-5-2-15(3-6-18)17-13-20-19-12-16(25(30)28-8-10-32-11-9-28)4-7-22(19)27-23(20)21(14-17)24(26)29/h2-7,12-14,27H,8-11H2,1H3,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50094659 (CHEMBL3589164) Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/t10-,11?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50123560 (CHEMBL3622197) Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H20ClN3O3/c25-17-4-1-14(2-5-17)16-12-19-18-11-15(24(30)28-7-9-31-10-8-28)3-6-21(18)27-22(19)20(13-16)23(26)29/h1-6,11-13,27H,7-10H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50094661 (CHEMBL3589166) Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123457 (CHEMBL3622193) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123554 (CHEMBL3622190) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C35H36N6O3/c1-21-25(6-5-7-29(21)38-34(43)22-8-11-24(12-9-22)39(2)3)26-14-15-28(33(36)42)32-31(26)27-13-10-23(20-30(27)37-32)35(44)41-18-16-40(4)17-19-41/h5-15,20,37H,16-19H2,1-4H3,(H2,36,42)(H,38,43)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123553 (CHEMBL3622189) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)c21)C(N)=O Show InChI InChI=1S/C33H30FN5O3/c1-19-23(4-3-5-27(19)37-32(41)20-6-9-22(34)10-7-20)24-12-13-26(31(35)40)30-29(24)25-11-8-21(18-28(25)36-30)33(42)39-16-14-38(2)15-17-39/h3-13,18,36H,14-17H2,1-2H3,(H2,35,40)(H,37,41)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50123563 (CHEMBL3622198) Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-8-10-30(11-9-29)26(32)17-6-7-20-21-13-18(16-4-3-5-19(12-16)33-2)14-22(25(27)31)24(21)28-23(20)15-17/h3-7,12-15,28H,8-11H2,1-2H3,(H2,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50123564 (CHEMBL3622199) Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-9-11-30(12-10-29)26(32)17-5-8-20-21-13-18(16-3-6-19(33-2)7-4-16)14-22(25(27)31)24(21)28-23(20)15-17/h3-8,13-15,28H,9-12H2,1-2H3,(H2,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM130262 (US8815840, 61) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc(Cl)c(Cl)c1)C(N)=O Show InChI InChI=1S/C25H22Cl2N4O2/c1-30-6-8-31(9-7-30)25(33)15-2-4-17-18-10-16(14-3-5-20(26)21(27)12-14)11-19(24(28)32)23(18)29-22(17)13-15/h2-5,10-13,29H,6-9H2,1H3,(H2,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123546 (CHEMBL3621512) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(F)c3F)c21)C(N)=O Show InChI InChI=1S/C25H22F2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-17-20(13-14)29-23-18(24(28)32)8-7-15(21(17)23)16-3-2-4-19(26)22(16)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32)	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	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123552 (CHEMBL3621519) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccccc4)c3C)c21)C(N)=O Show InChI InChI=1S/C33H31N5O3/c1-20-23(9-6-10-27(20)36-32(40)21-7-4-3-5-8-21)24-13-14-26(31(34)39)30-29(24)25-12-11-22(19-28(25)35-30)33(41)38-17-15-37(2)16-18-38/h3-14,19,35H,15-18H2,1-2H3,(H2,34,39)(H,36,40)	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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123556 (CHEMBL3622192) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3F)c21)C(N)=O Show InChI InChI=1S/C32H27F2N5O3/c1-38-13-15-39(16-14-38)32(42)19-7-10-23-26(17-19)36-29-24(30(35)40)12-11-21(27(23)29)22-3-2-4-25(28(22)34)37-31(41)18-5-8-20(33)9-6-18/h2-12,17,36H,13-16H2,1H3,(H2,35,40)(H,37,41)	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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123555 (CHEMBL3622191) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c21)C(N)=O Show InChI InChI=1S/C37H39N5O3/c1-22-26(7-6-8-30(22)40-35(44)23-9-12-25(13-10-23)37(2,3)4)27-15-16-29(34(38)43)33-32(27)28-14-11-24(21-31(28)39-33)36(45)42-19-17-41(5)18-20-42/h6-16,21,39H,17-20H2,1-5H3,(H2,38,43)(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123551 (CHEMBL3621518) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3c(F)cccc3F)c21)C(N)=O |(10.57,1.6,;9.47,.96,;9.48,-.63,;8.1,-1.43,;6.72,-.64,;6.72,.95,;8.09,1.75,;5.34,-1.43,;5.35,-2.71,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.29,4.03,;-.18,3.4,;-1.3,5.62,;-2.68,6.41,;-4.05,5.6,;-4.04,4.01,;-5.14,3.36,;-1.3,.87,;-2.68,-2.99,;-1.59,-3.65,;-3.79,-3.6,)| Show InChI InChI=1S/C25H22F2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-15-20(13-14)29-23-17(24(28)32)8-7-16(21(15)23)22-18(26)3-2-4-19(22)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123545 (CHEMBL3621511) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3Cl)c21)C(N)=O Show InChI InChI=1S/C25H22Cl2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-17-20(13-14)29-23-18(24(28)32)8-7-15(21(17)23)16-3-2-4-19(26)22(16)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123537 (CHEMBL3621503) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3Cl)c21)C(N)=O Show InChI InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123455 (CHEMBL3621496) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123466 (CHEMBL3621500) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(NC(C)=O)cc3)c21)C(N)=O Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-6-3-17(4-7-19)20-9-10-22(26(28)34)25-24(20)21-8-5-18(15-23(21)30-25)27(35)32-13-11-31(2)12-14-32/h3-10,15,30H,11-14H2,1-2H3,(H2,28,34)(H,29,33)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123456 (CHEMBL3621515 | US10266491, Comparative Example 10...) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123458 (CHEMBL3621457) Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4ccccc4F)c3c2c1)C(N)=O Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-9-21-19(14-15)22-17(16-4-2-3-5-20(16)26)7-8-18(24(27)31)23(22)28-21/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123550 (CHEMBL3621517) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cc(F)ccc3F)c21)C(N)=O Show InChI InChI=1S/C25H22F2N4O2/c1-30-8-10-31(11-9-30)25(33)14-2-4-17-21(12-14)29-23-18(24(28)32)6-5-16(22(17)23)19-13-15(26)3-7-20(19)27/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123548 (CHEMBL3621514) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(N)c3C)c21)C(N)=O Show InChI InChI=1S/C26H27N5O2/c1-15-17(4-3-5-21(15)27)18-8-9-20(25(28)32)24-23(18)19-7-6-16(14-22(19)29-24)26(33)31-12-10-30(2)11-13-31/h3-9,14,29H,10-13,27H2,1-2H3,(H2,28,32)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123549 (CHEMBL3621516) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(F)cc3F)c21)C(N)=O Show InChI InChI=1S/C25H22F2N4O2/c1-30-8-10-31(11-9-30)25(33)14-2-4-18-21(12-14)29-23-19(24(28)32)7-6-17(22(18)23)16-5-3-15(26)13-20(16)27/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123476 (CHEMBL3621501) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3C)c21)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-16-5-3-4-6-18(16)19-9-10-21(25(27)31)24-23(19)20-8-7-17(15-22(20)28-24)26(32)30-13-11-29(2)12-14-30/h3-10,15,28H,11-14H2,1-2H3,(H2,27,31)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50123567 (CHEMBL3622201) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1cccc(NC(C)=O)c1)C(N)=O Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-20-5-3-4-17(12-20)19-13-22-21-7-6-18(27(35)32-10-8-31(2)9-11-32)15-24(21)30-25(22)23(14-19)26(28)34/h3-7,12-15,30H,8-11H2,1-2H3,(H2,28,34)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123459 (CHEMBL3621458) Show SMILES COc1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-10-12-30(13-11-29)26(32)17-6-9-22-21(15-17)23-19(16-4-3-5-18(14-16)33-2)7-8-20(25(27)31)24(23)28-22/h3-9,14-15,28H,10-13H2,1-2H3,(H2,27,31)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123461 (CHEMBL3621460) Show SMILES COc1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-11-13-30(14-12-29)26(32)17-5-10-22-21(15-17)23-19(16-3-6-18(33-2)7-4-16)8-9-20(25(27)31)24(23)28-22/h3-10,15,28H,11-14H2,1-2H3,(H2,27,31)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123464 (CHEMBL3621498) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3)c21)C(N)=O Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-5-3-4-17(14-19)20-8-9-22(26(28)34)25-24(20)21-7-6-18(15-23(21)30-25)27(35)32-12-10-31(2)11-13-32/h3-9,14-15,30H,10-13H2,1-2H3,(H2,28,34)(H,29,33)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123547 (CHEMBL3621513) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3C)c21)C(N)=O Show InChI InChI=1S/C26H25ClN4O2/c1-15-17(4-3-5-21(15)27)18-8-9-20(25(28)32)24-23(18)19-7-6-16(14-22(19)29-24)26(33)31-12-10-30(2)11-13-31/h3-9,14,29H,10-13H2,1-2H3,(H2,28,32)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123463 (CHEMBL3621497) Show SMILES COc1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-10-12-30(13-11-29)26(32)17-6-7-20-22(15-17)28-24-21(25(27)31)9-8-19(23(20)24)16-4-3-5-18(14-16)33-2/h3-9,14-15,28H,10-13H2,1-2H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123538 (CHEMBL3621504) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3)c21)C(N)=O Show InChI InChI=1S/C25H23ClN4O2/c1-29-9-11-30(12-10-29)25(32)16-5-6-19-21(14-16)28-23-20(24(27)31)8-7-18(22(19)23)15-3-2-4-17(26)13-15/h2-8,13-14,28H,9-12H2,1H3,(H2,27,31)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123462 (CHEMBL3621495) Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4ccc(NC(C)=O)cc4)c3c2c1)C(N)=O Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-6-3-17(4-7-19)20-8-9-21(26(28)34)25-24(20)22-15-18(5-10-23(22)30-25)27(35)32-13-11-31(2)12-14-32/h3-10,15,30H,11-14H2,1-2H3,(H2,28,34)(H,29,33)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50123455 (CHEMBL3621496) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of ITK (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123557 (CHEMBL3622194) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)c21)C(N)=O Show InChI InChI=1S/C32H28FN5O3/c1-37-13-15-38(16-14-37)32(41)21-7-10-25-27(18-21)36-29-26(30(34)39)12-11-24(28(25)29)20-3-2-4-23(17-20)35-31(40)19-5-8-22(33)9-6-19/h2-12,17-18,36H,13-16H2,1H3,(H2,34,39)(H,35,40)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM50123457 (CHEMBL3622193) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of TEC (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50123455 (CHEMBL3621496) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of cKIT (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123542 (CHEMBL3621508) Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H27N5O3/c1-29-26(34)17-5-3-16(4-6-17)19-9-10-21(25(28)33)24-23(19)20-8-7-18(15-22(20)30-24)27(35)32-13-11-31(2)12-14-32/h3-10,15,30H,11-14H2,1-2H3,(H2,28,33)(H,29,34)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50123455 (CHEMBL3621496) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123465 (CHEMBL3621499) Show SMILES COc1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-11-13-30(14-12-29)26(32)17-5-8-20-22(15-17)28-24-21(25(27)31)10-9-19(23(20)24)16-3-6-18(33-2)7-4-16/h3-10,15,28H,11-14H2,1-2H3,(H2,27,31)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50123456 (CHEMBL3621515 | US10266491, Comparative Example 10...) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of ITK (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123540 (CHEMBL3621506) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(Cl)cc3)c21)C(N)=O Show InChI InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)16-4-7-19-21(14-16)28-23-20(24(27)31)9-8-18(22(19)23)15-2-5-17(26)6-3-15/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	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	59	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50123455 (CHEMBL3621496) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	PDB MMDB 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of LYNa (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123539 (CHEMBL3621505) Show SMILES CNC(=O)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H27N5O3/c1-29-26(34)17-5-3-4-16(14-17)19-8-9-21(25(28)33)24-23(19)20-7-6-18(15-22(20)30-24)27(35)32-12-10-31(2)11-13-32/h3-9,14-15,30H,10-13H2,1-2H3,(H2,28,33)(H,29,34)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50123455 (CHEMBL3621496) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of LCK (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123460 (CHEMBL3621459) Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4cccc(NC(C)=O)c4)c3c2c1)C(N)=O Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-5-3-4-17(14-19)20-7-8-21(26(28)34)25-24(20)22-15-18(6-9-23(22)30-25)27(35)32-12-10-31(2)11-13-32/h3-9,14-15,30H,10-13H2,1-2H3,(H2,28,34)(H,29,33)	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	88	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Homo sapiens (Human))	BDBM50123457 (CHEMBL3622193) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of TXK (unknown origin)				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123544 (CHEMBL3621510) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(Cl)c(Cl)c3)c21)C(N)=O Show InChI InChI=1S/C25H22Cl2N4O2/c1-30-8-10-31(11-9-30)25(33)15-2-4-17-21(13-15)29-23-18(24(28)32)6-5-16(22(17)23)14-3-7-19(26)20(27)12-14/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)	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	101	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair

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