Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'espinola' and Initial = 's'   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538098 (CHEMBL4640031) Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn([C@H]2CC[C@@](C)(O)CC2)c2cnccc12 |r,wU:23.25,5.5,1.0,wD:20.21,(67.8,-7.39,;66.77,-6.25,;65.27,-6.57,;64.23,-5.42,;64.7,-3.97,;66.21,-3.64,;66.68,-2.18,;67.24,-4.79,;62.73,-5.75,;62.26,-7.22,;61.69,-4.61,;60.19,-4.94,;59.72,-6.41,;58.21,-6.74,;57.18,-5.6,;57.64,-4.14,;59.15,-3.8,;57.75,-8.2,;58.66,-9.44,;57.76,-10.69,;58.24,-12.15,;57.22,-13.3,;57.69,-14.75,;59.2,-15.07,;58.8,-16.55,;60.28,-16.15,;60.23,-13.92,;59.75,-12.45,;56.29,-10.22,;54.95,-11,;53.61,-10.23,;53.62,-8.69,;54.95,-7.92,;56.28,-8.68,)| Show InChI InChI=1S/C26H33N5O3/c1-17-14-30(15-18(2)34-17)25(32)29-24-12-19(6-11-28-24)22-16-31(23-13-27-10-7-21(22)23)20-4-8-26(3,33)9-5-20/h6-7,10-13,16-18,20,33H,4-5,8-9,14-15H2,1-3H3,(H,28,29,32)/t17-,18+,20-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					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
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
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))	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))	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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 recombinant human DYRK1A (129 to 509 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					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
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538099 (CHEMBL4636064) Show SMILES CCN1CCN(CC1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.20	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 recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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)
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
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
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538095 (CHEMBL4649473) Show SMILES CC1(C)CN(C1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C23H27N5O2/c1-23(2)14-27(15-23)22(29)26-21-11-16(3-8-25-21)19-13-28(17-5-9-30-10-6-17)20-12-24-7-4-18(19)20/h3-4,7-8,11-13,17H,5-6,9-10,14-15H2,1-2H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538090 (CHEMBL4648742) Show SMILES c1c(-c2ccncc2)c2ccncc2n1-c1ccccc1 Show InChI InChI=1S/C18H13N3/c1-2-4-15(5-3-1)21-13-17(14-6-9-19-10-7-14)16-8-11-20-12-18(16)21/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538093 (CHEMBL4645474) Show SMILES O=C(NC1CC1)Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12 Show InChI InChI=1S/C22H19N5O/c28-22(25-16-6-7-16)26-21-12-15(8-11-24-21)19-14-27(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-14,16H,6-7H2,(H2,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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 recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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 recombinant human GSK3beta (1 to 433 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279320 (CHEMBL4163484) Show SMILES COc1cc2ncc(-c3ccc(O)cc3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C18H20N2O4S/c1-18(2,3)25(22,23)16-11-20-14(12-5-7-13(21)8-6-12)10-19-17(20)9-15(16)24-4/h5-11,21H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538091 (CHEMBL4640465) Show SMILES Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12 Show InChI InChI=1S/C18H14N4/c19-18-10-13(6-9-21-18)16-12-22(14-4-2-1-3-5-14)17-11-20-8-7-15(16)17/h1-12H,(H2,19,21)	PDB MMDB 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
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538094 (CHEMBL4641631) Show SMILES O=C(NC1CC1)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C21H23N5O2/c27-21(24-15-1-2-15)25-20-11-14(3-8-23-20)18-13-26(16-5-9-28-10-6-16)19-12-22-7-4-17(18)19/h3-4,7-8,11-13,15-16H,1-2,5-6,9-10H2,(H2,23,24,25,27)	PDB MMDB 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
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279316 (CHEMBL4167668) Show SMILES COc1cc2ncc(-c3ccc4[nH]ncc4c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H20N4O3S/c1-19(2,3)27(24,25)17-11-23-15(10-20-18(23)8-16(17)26-4)12-5-6-14-13(7-12)9-21-22-14/h5-11H,1-4H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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))	BDBM50279290 (CHEMBL4171039) Show SMILES COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13(24)22-15-8-6-7-14(9-15)16-11-21-19-10-17(27-5)18(12-23(16)19)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50279293 (CHEMBL4162913) Show SMILES COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13-8-6-7-9-14(13)22-19(24)15-11-21-18-10-16(27-5)17(12-23(15)18)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538096 (CHEMBL4641672) Show SMILES O=C(Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12)N1CCOCC1 Show InChI InChI=1S/C22H25N5O3/c28-22(26-7-11-30-12-8-26)25-21-13-16(1-6-24-21)19-15-27(17-3-9-29-10-4-17)20-14-23-5-2-18(19)20/h1-2,5-6,13-15,17H,3-4,7-12H2,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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 recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279314 (CHEMBL4173646) Show SMILES COc1cc2ncc(-c3ccnc(N)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C17H20N4O3S/c1-17(2,3)25(22,23)14-10-21-12(11-5-6-19-15(18)7-11)9-20-16(21)8-13(14)24-4/h5-10H,1-4H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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))	BDBM50279314 (CHEMBL4173646) Show SMILES COc1cc2ncc(-c3ccnc(N)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C17H20N4O3S/c1-17(2,3)25(22,23)14-10-21-12(11-5-6-19-15(18)7-11)9-20-16(21)8-13(14)24-4/h5-10H,1-4H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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))	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	30	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 whole blood assessed as reduction in MDP-stimulated TNFalpha secretion pretreated for 30 mins followed by MDP stimulatio...				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))	BDBM50279290 (CHEMBL4171039) Show SMILES COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13(24)22-15-8-6-7-14(9-15)16-11-21-19-10-17(27-5)18(12-23(16)19)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50279289 (CHEMBL4174187) Show SMILES COc1cc2ncc(-c3cccc(O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C18H20N2O4S/c1-18(2,3)25(22,23)16-11-20-14(12-6-5-7-13(21)8-12)10-19-17(20)9-15(16)24-4/h5-11,21H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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))	BDBM50279288 (CHEMBL4170854) Show SMILES COc1cc2ncc(C(=O)Oc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H22N2O5S/c1-13-8-6-7-9-15(13)27-19(23)14-11-21-18-10-16(26-5)17(12-22(14)18)28(24,25)20(2,3)4/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Affinity for nicotinic acetylcholine receptor alpha4-beta2				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))	BDBM50279294 (CHEMBL4160116) Show SMILES COc1cccc(c1)-c1cnc2cc(OC)c(cn12)S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H22N2O4S/c1-19(2,3)26(22,23)17-12-21-15(11-20-18(21)10-16(17)25-5)13-7-6-8-14(9-13)24-4/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Affinity for nicotinic acetylcholine receptor alpha4-beta2				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))	BDBM50279315 (CHEMBL4165728) Show SMILES COc1cc2ncc(-c3ccnc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H22N4O4S/c1-12(24)22-17-8-13(6-7-20-17)14-10-21-18-9-15(27-5)16(11-23(14)18)28(25,26)19(2,3)4/h6-11H,1-5H3,(H,20,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538083 (CHEMBL4638292) Show SMILES Nc1ncc(nc1C(=O)Nc1cnccc1N1CCC(CC1)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C22H22N6O3/c23-20-19(26-16(13-25-20)14-4-2-1-3-5-14)21(29)27-17-12-24-9-6-18(17)28-10-7-15(8-11-28)22(30)31/h1-6,9,12-13,15H,7-8,10-11H2,(H2,23,25)(H,27,29)(H,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	40	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 recombinant human GSK3beta (1 to 433 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538097 (CHEMBL4641839) Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 |r| Show InChI InChI=1S/C24H29N5O3/c1-16-13-28(14-17(2)32-16)24(30)27-23-11-18(3-8-26-23)21-15-29(19-5-9-31-10-6-19)22-12-25-7-4-20(21)22/h3-4,7-8,11-12,15-17,19H,5-6,9-10,13-14H2,1-2H3,(H,26,27,30)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	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 recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538085 (CHEMBL4634969) Show SMILES CC(C)Cn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C16H17N3/c1-12(2)10-19-11-15(13-3-6-17-7-4-13)14-5-8-18-9-16(14)19/h3-9,11-12H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	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 recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Rattus norvegicus)	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/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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 rat whole blood assessed as reduction in MDP-stimulated TNFalpha secretion measured after 5 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))	BDBM50279312 (CHEMBL4172092) Show SMILES COc1cc(Cl)cc(c1)-c1cnc2cc(OC)c(cn12)S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H21ClN2O4S/c1-19(2,3)27(23,24)17-11-22-15(10-21-18(22)9-16(17)26-5)12-6-13(20)8-14(7-12)25-4/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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 Lyn (Homo sapiens (Human))	BDBM50279293 (CHEMBL4162913) Show SMILES COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13-8-6-7-9-14(13)22-19(24)15-11-21-18-10-16(27-5)17(12-23(15)18)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Lyn (unknown origin)				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))	BDBM50279319 (CHEMBL4169652) Show SMILES CC(C)(C)S(=O)(=O)c1cn2c(cnc2cc1OC1CC1)-c1cc(N)nc(Cl)c1 Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2,3)28(25,26)15-10-24-13(11-6-16(20)23-17(21)7-11)9-22-18(24)8-14(15)27-12-4-5-12/h6-10,12H,4-5H2,1-3H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	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))	BDBM50279315 (CHEMBL4165728) Show SMILES COc1cc2ncc(-c3ccnc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H22N4O4S/c1-12(24)22-17-8-13(6-7-20-17)14-10-21-18-9-15(27-5)16(11-23(14)18)28(25,26)19(2,3)4/h6-11H,1-5H3,(H,20,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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 (Rattus norvegicus)	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/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	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 rat whole blood assessed as reduction in MDP-stimulated TNFalpha secretion measured after 5 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))	BDBM50279310 (CHEMBL4165019) Show SMILES COc1cc2ncc(-c3ccc(C(N)=O)c(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H20ClN3O4S/c1-19(2,3)28(25,26)16-10-23-14(9-22-17(23)8-15(16)27-4)11-5-6-12(18(21)24)13(20)7-11/h5-10H,1-4H3,(H2,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	71	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 DYRK1A (unknown origin)				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50279304 (CHEMBL4166371) Show SMILES COc1cc2ncc(-c3cccc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C18H19ClN2O3S/c1-18(2,3)25(22,23)16-11-21-14(12-6-5-7-13(19)8-12)10-20-17(21)9-15(16)24-4/h5-11H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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

Displayed 1 to 50 (of 242 total )  |  Next  |  Last  >>

Jump to: