Compile Data Set for Download or QSAR

Found 1204 hits with Last Name = 'kanda' and Initial = 'm'   

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
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279275 (CHEMBL4176853) Show SMILES COc1cc2ncc(-c3cc(Cl)cc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H22ClN3O4S/c1-12(25)23-15-7-13(6-14(21)8-15)16-10-22-19-9-17(28-5)18(11-24(16)19)29(26,27)20(2,3)4/h6-11H,1-5H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279291 (CHEMBL4171924) Show SMILES CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C18H21FN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311926 (CHEMBL1076436 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C31H30F3N9O/c1-19-7-8-22(38-29(44)20-13-21(31(32,33)34)15-23(14-20)42-11-9-41(2)10-12-42)16-25(19)40-30-39-24-5-3-4-6-26(24)43(30)28-17-27(35)36-18-37-28/h3-8,13-18H,9-12H2,1-2H3,(H,38,44)(H,39,40)(H2,35,36,37)	PDB UniProtKB/SwissProt 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
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279292 (CHEMBL4161327) Show SMILES CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)C Show InChI InChI=1S/C17H19FN4O3S/c1-4-25-13-7-17-20-8-12(11-5-15(18)21-16(19)6-11)22(17)9-14(13)26(23,24)10(2)3/h5-10H,4H2,1-3H3,(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311927 (CHEMBL1076437 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C32H32F3N9O/c1-3-42-10-12-43(13-11-42)24-15-21(14-22(16-24)32(33,34)35)30(45)39-23-9-8-20(2)26(17-23)41-31-40-25-6-4-5-7-27(25)44(31)29-18-28(36)37-19-38-29/h4-9,14-19H,3,10-13H2,1-2H3,(H,39,45)(H,40,41)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311924 (CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1 Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused InsR expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused SRC expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused KDR expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50311927 (CHEMBL1076437 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C32H32F3N9O/c1-3-42-10-12-43(13-11-42)24-15-21(14-22(16-24)32(33,34)35)30(45)39-23-9-8-20(2)26(17-23)41-31-40-25-6-4-5-7-27(25)44(31)29-18-28(36)37-19-38-29/h4-9,14-19H,3,10-13H2,1-2H3,(H,39,45)(H,40,41)(H2,36,37,38)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused KDR expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279302 (CHEMBL4161723) Show SMILES CCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C18H21ClN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279297 (CHEMBL4173493) Show SMILES COCCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H23ClN4O4S/c1-19(2,3)29(25,26)15-11-24-13(12-7-16(20)23-17(21)8-12)10-22-18(24)9-14(15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279311 (CHEMBL4160817) Show SMILES COc1cc2ncc(-c3ccc(O)c(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C18H19ClN2O4S/c1-18(2,3)26(23,24)16-10-21-13(9-20-17(21)8-15(16)25-4)11-5-6-14(22)12(19)7-11/h5-10,22H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenates				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50263515 (2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-be...) Show SMILES Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of TEL fused Src-mediated proliferation of TEL-Src transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay				Bioorg Med Chem Lett 18: 5618-21 (2008) Article DOI: 10.1016/j.bmcl.2008.08.104 BindingDB Entry DOI: 10.7270/Q2DN44WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50311920 (CHEMBL1076432 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCC(CC1)Oc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C32H31F3N8O2/c1-19-7-8-22(16-26(19)41-31-40-25-5-3-4-6-27(25)43(31)29-17-28(36)37-18-38-29)39-30(44)20-13-21(32(33,34)35)15-24(14-20)45-23-9-11-42(2)12-10-23/h3-8,13-18,23H,9-12H2,1-2H3,(H,39,44)(H,40,41)(H2,36,37,38)	PDB MMDB 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LYN expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LYN expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311931 (CHEMBL1076469 | N-(3-(1-(6-(4-(dimethylamino)butyl...) Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12 Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-24(39-30(44)22-9-8-10-23(17-22)32(33,34)35)18-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311924 (CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1 Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Mus musculus)	BDBM50279297 (CHEMBL4173493) Show SMILES COCCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H23ClN4O4S/c1-19(2,3)29(25,26)15-11-24-13(12-7-16(20)23-17(21)8-12)10-22-18(24)9-14(15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H2,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of RIPK2 in C57BL/6 mouse BMDM assessed as reduction in MDP/LPS-stimulated IL6 secretion pretreated for 30 mins followed by MDP/LPS stimul...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311893 (CHEMBL1076478 | N-(4-methyl-3-(1-(6-(3-(4-methylpi...) Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1 Show InChI InChI=1S/C34H36F3N9O/c1-23-11-12-26(41-32(47)24-7-5-8-25(19-24)34(35,36)37)20-28(23)43-33-42-27-9-3-4-10-29(27)46(33)31-21-30(39-22-40-31)38-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-22H,6,13-18H2,1-2H3,(H,41,47)(H,42,43)(H,38,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50311926 (CHEMBL1076436 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C31H30F3N9O/c1-19-7-8-22(38-29(44)20-13-21(31(32,33)34)15-23(14-20)42-11-9-41(2)10-12-42)16-25(19)40-30-39-24-5-3-4-6-26(24)43(30)28-17-27(35)36-18-37-28/h3-8,13-18H,9-12H2,1-2H3,(H,38,44)(H,39,40)(H2,35,36,37)	PDB MMDB 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	6	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LYN expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279317 (CHEMBL4166239) Show SMILES COc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C17H19ClN4O3S/c1-17(2,3)26(23,24)13-9-22-11(8-20-16(22)7-12(13)25-4)10-5-14(18)21-15(19)6-10/h5-9H,1-4H3,(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279303 (CHEMBL4170048) Show SMILES CC(C)Oc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H23ClN4O3S/c1-11(2)27-14-8-18-22-9-13(12-6-16(20)23-17(21)7-12)24(18)10-15(14)28(25,26)19(3,4)5/h6-11H,1-5H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279325 (CHEMBL4159424) Show SMILES CC(C)(C)S(=O)(=O)c1cn2c(cnc2cc1OCC(F)(F)F)-c1cc(N)nc(Cl)c1 Show InChI InChI=1S/C18H18ClF3N4O3S/c1-17(2,3)30(27,28)13-8-26-11(10-4-14(19)25-15(23)5-10)7-24-16(26)6-12(13)29-9-18(20,21)22/h4-8H,9H2,1-3H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311917 (CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50263515 (2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-be...) Show SMILES Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of TEL fused Lck (unknown origin)-mediated proliferation of TEL-Lck transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase as...				Bioorg Med Chem Lett 18: 5618-21 (2008) Article DOI: 10.1016/j.bmcl.2008.08.104 BindingDB Entry DOI: 10.7270/Q2DN44WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311920 (CHEMBL1076432 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCC(CC1)Oc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C32H31F3N8O2/c1-19-7-8-22(16-26(19)41-31-40-25-5-3-4-6-27(25)43(31)29-17-28(36)37-18-38-29)39-30(44)20-13-21(32(33,34)35)15-24(14-20)45-23-9-11-42(2)12-10-23/h3-8,13-18,23H,9-12H2,1-2H3,(H,39,44)(H,40,41)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311897 (3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...) Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1 Show InChI InChI=1S/C28H27N7O/c1-17(2)19-7-6-8-21(13-19)32-27(36)20-12-11-18(3)23(14-20)34-28-33-22-9-4-5-10-24(22)35(28)26-15-25(29)30-16-31-26/h4-17H,1-3H3,(H,32,36)(H,33,34)(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50311940 (CHEMBL1080475 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LYN expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311940 (CHEMBL1080475 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311925 (CHEMBL1075628 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCN(Cc2cc(nn2C(C)(C)C)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1 Show InChI InChI=1S/C32H39N11O/c1-21-10-11-22(36-30(44)26-17-23(43(39-26)32(2,3)4)19-41-14-12-40(5)13-15-41)16-25(21)38-31-37-24-8-6-7-9-27(24)42(31)29-18-28(33)34-20-35-29/h6-11,16-18,20H,12-15,19H2,1-5H3,(H,36,44)(H,37,38)(H2,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279296 (CHEMBL4162788) Show SMILES CN1CCN(CCOc2cc3ncc(-c4cc(N)nc(Cl)c4)n3cc2S(=O)(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C23H31ClN6O3S/c1-23(2,3)34(31,32)19-15-30-17(16-11-20(24)27-21(25)12-16)14-26-22(30)13-18(19)33-10-9-29-7-5-28(4)6-8-29/h11-15H,5-10H2,1-4H3,(H2,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50311924 (CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1 Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)	PDB MMDB 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	9	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of HCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279275 (CHEMBL4176853) Show SMILES COc1cc2ncc(-c3cc(Cl)cc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H22ClN3O4S/c1-12(25)23-15-7-13(6-14(21)8-15)16-10-22-19-9-17(28-5)18(11-24(16)19)29(26,27)20(2,3)4/h6-11H,1-5H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of RIPK2 in human PBMCs assessed as reduction in MDP-stimulated IL8 secretion measured after 18 hrs				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50311927 (CHEMBL1076437 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C32H32F3N9O/c1-3-42-10-12-43(13-11-42)24-15-21(14-22(16-24)32(33,34)35)30(45)39-23-9-8-20(2)26(17-23)41-31-40-25-6-4-5-7-27(25)44(31)29-18-28(36)37-19-38-29/h4-9,14-19H,3,10-13H2,1-2H3,(H,39,45)(H,40,41)(H2,36,37,38)	PDB MMDB 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	9	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LYN expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279317 (CHEMBL4166239) Show SMILES COc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C17H19ClN4O3S/c1-17(2,3)26(23,24)13-9-22-11(8-20-16(22)7-12(13)25-4)10-5-14(18)21-15(19)6-10/h5-9H,1-4H3,(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of RIPK2 in human PBMCs assessed as reduction in MDP-stimulated IL8 secretion measured after 18 hrs				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279313 (CHEMBL4164217) Show SMILES COc1cc2ncc(-c3cc(O)cc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C18H19ClN2O4S/c1-18(2,3)26(23,24)16-10-21-14(9-20-17(21)8-15(16)25-4)11-5-12(19)7-13(22)6-11/h5-10,22H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311940 (CHEMBL1080475 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50311924 (CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1 Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)	PDB MMDB 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	10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LYN expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50311925 (CHEMBL1075628 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCN(Cc2cc(nn2C(C)(C)C)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1 Show InChI InChI=1S/C32H39N11O/c1-21-10-11-22(36-30(44)26-17-23(43(39-26)32(2,3)4)19-41-14-12-40(5)13-15-41)16-25(21)38-31-37-24-8-6-7-9-27(24)42(31)29-18-28(33)34-20-35-29/h6-11,16-18,20H,12-15,19H2,1-5H3,(H,36,44)(H,37,38)(H2,33,34,35)	PDB MMDB 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	11	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of HCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279323 (CHEMBL4168738) Show SMILES COc1cc(ccc1O)-c1cnc2cc(OC)c(cn12)S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H22N2O5S/c1-19(2,3)27(23,24)17-11-21-13(10-20-18(21)9-16(17)26-5)12-6-7-14(22)15(8-12)25-4/h6-11,22H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311911 (4-methyl-3-(1-(6-(2-(4-methylpiperazin-1-yl)ethyla...) Show SMILES CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1 Show InChI InChI=1S/C33H34F3N9O/c1-22-10-11-23(31(46)40-25-7-5-6-24(19-25)33(34,35)36)18-27(22)42-32-41-26-8-3-4-9-28(26)45(32)30-20-29(38-21-39-30)37-12-13-44-16-14-43(2)15-17-44/h3-11,18-21H,12-17H2,1-2H3,(H,40,46)(H,41,42)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311926 (CHEMBL1076436 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C31H30F3N9O/c1-19-7-8-22(38-29(44)20-13-21(31(32,33)34)15-23(14-20)42-11-9-41(2)10-12-42)16-25(19)40-30-39-24-5-3-4-6-26(24)43(30)28-17-27(35)36-18-37-28/h3-8,13-18H,9-12H2,1-2H3,(H,38,44)(H,39,40)(H2,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311927 (CHEMBL1076437 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C32H32F3N9O/c1-3-42-10-12-43(13-11-42)24-15-21(14-22(16-24)32(33,34)35)30(45)39-23-9-8-20(2)26(17-23)41-31-40-25-6-4-5-7-27(25)44(31)29-18-28(36)37-19-38-29/h4-9,14-19H,3,10-13H2,1-2H3,(H,39,45)(H,40,41)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311917 (CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Mus musculus)	BDBM50279292 (CHEMBL4161327) Show SMILES CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)C Show InChI InChI=1S/C17H19FN4O3S/c1-4-25-13-7-17-20-8-12(11-5-15(18)21-16(19)6-11)22(17)9-14(13)26(23,24)10(2)3/h5-10H,4H2,1-3H3,(H2,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of RIPK2 in C57BL/6 mouse BMDM assessed as reduction in MDP/LPS-stimulated IL6 secretion pretreated for 30 mins followed by MDP/LPS stimul...				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311915 (4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propyl...) Show SMILES CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1 Show InChI InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311932 (CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...) Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12 Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)	PDB UniProtKB/SwissProt 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
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50263516 (CHEMBL450092 | N4-(6-(2-(2-chloro-6-methylphenylam...) Show SMILES Cc1nc(NCCN2CCOCC2)cc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)n1 Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)38-29-36-22-8-3-4-9-23(22)40(29)27-17-25(32-18-33-27)37-26-16-24(34-20(2)35-26)31-10-11-39-12-14-41-15-13-39/h3-9,16-18H,10-15H2,1-2H3,(H,36,38)(H2,31,32,33,34,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of TEL fused Lck (unknown origin)-mediated proliferation of TEL-Lck transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase as...				Bioorg Med Chem Lett 18: 5618-21 (2008) Article DOI: 10.1016/j.bmcl.2008.08.104 BindingDB Entry DOI: 10.7270/Q2DN44WQ
					More data for this Ligand-Target Pair

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