Compile Data Set for Download or QSAR

Found 705 hits with Last Name = 'nuthall' and Initial = 'h'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114806 (CHEMBL3609752) Show SMILES COc1cc(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)16-6-7-18(23(10-16)37-2)20-12-35(32-31-20)22-9-8-17-19(26)4-3-5-21(17)34(24(22)36)13-25(27,28)29/h3-7,10-12,14,22H,8-9,13H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114807 (CHEMBL3608385) Show SMILES Cc1cn(cn1)-c1ccc(cc1OCC(F)(F)F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H21F7N6O2/c1-15-10-37(14-34-15)21-7-5-16(9-23(21)41-13-26(31,32)33)19-11-39(36-35-19)22-8-6-17-18(27)3-2-4-20(17)38(24(22)40)12-25(28,29)30/h2-5,7,9-11,14,22H,6,8,12-13H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114800 (CHEMBL3609749) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114836 (CHEMBL3608387) Show SMILES COc1c(F)c(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(22(27)23(20)38-2)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114805 (CHEMBL3608384) Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H20F4N6O/c1-15-11-32(14-29-15)17-7-5-16(6-8-17)20-12-34(31-30-20)22-10-9-18-19(25)3-2-4-21(18)33(23(22)35)13-24(26,27)28/h2-8,11-12,14,22H,9-10,13H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114837 (CHEMBL3609755) Show SMILES COc1c(F)c(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(23(38-2)22(20)27)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114810 (CHEMBL3609754) Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(nn2)[C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)c(F)c1 |r| Show InChI InChI=1S/C24H19F5N6O/c1-14-10-33(13-30-14)15-5-6-16(19(26)9-15)20-11-35(32-31-20)22-8-7-17-18(25)3-2-4-21(17)34(23(22)36)12-24(27,28)29/h2-6,9-11,13,22H,7-8,12H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114845 (CHEMBL3609759) Show SMILES COc1cc(ccc1-n1cnc(C)n1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H21F4N7O2/c1-14-29-13-35(31-14)20-8-6-15(10-22(20)37-2)18-11-34(32-30-18)21-9-7-16-17(25)4-3-5-19(16)33(23(21)36)12-24(26,27)28/h3-6,8,10-11,13,21H,7,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536695 (CHEMBL4565845) Show SMILES Cc1sc(cc1-c1cnn2cc(cnc12)-c1cnn(C)c1)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r| Show InChI InChI=1S/C22H23F2N7OS/c1-12-15(6-18(33-12)21(32)29-19-17(25)4-3-5-22(19,23)24)16-9-28-31-11-13(7-26-20(16)31)14-8-27-30(2)10-14/h6-11,17,19H,3-5,25H2,1-2H3,(H,29,32)/t17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536677 (CHEMBL4532781) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536675 (CHEMBL4569508) Show SMILES FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H26F3N5O2S/c27-26(28,29)17-31-25(35)23-12-19(16-37-23)22-14-32-34-15-20(13-30-24(22)34)18-4-6-21(7-5-18)36-11-10-33-8-2-1-3-9-33/h4-7,12-16H,1-3,8-11,17H2,(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged BTK expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged TBK1 expressed in insect cells by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged STK22D expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged RPS6KA3 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50208911 (CHEMBL3884319) Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r| Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay				Bioorg Med Chem Lett 27: 114-120 (2017) Article DOI: 10.1016/j.bmcl.2016.08.068 BindingDB Entry DOI: 10.7270/Q2N018JC
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536692 (CHEMBL4550486) Show SMILES Cc1sc(cc1-c1cnn2cc(cnc12)-c1cnn(C)c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C22H25N7OS/c1-13-16(7-20(31-13)22(30)27-19-6-4-3-5-18(19)23)17-10-26-29-12-14(8-24-21(17)29)15-9-25-28(2)11-15/h7-12,18-19H,3-6,23H2,1-2H3,(H,27,30)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length human His-tagged ABL1 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cytoplasmic FLT3 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged DAPK1 catalytic domain expressed in baculovirus expression system by Adapta assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536685 (CHEMBL4528550) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCC[C@@H]1N |r| Show InChI InChI=1S/C20H21N7OS/c1-26-9-14(7-23-26)13-6-22-19-15(8-24-27(19)10-13)12-5-18(29-11-12)20(28)25-17-4-2-3-16(17)21/h5-11,16-17H,2-4,21H2,1H3,(H,25,28)/t16-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4 (Mus musculus)	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of MARK4 in mouse cortical neurons assessed as inhibition of okadaic acid-induced tau phosphorylation at S262 residue preincubated for 15 ...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged CDK2 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged CHEK1 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536693 (CHEMBL4552799) Show SMILES Cc1sc(cc1-c1cnn2cccnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r| Show InChI InChI=1S/C18H19F2N5OS/c1-10-11(12-9-23-25-7-3-6-22-16(12)25)8-14(27-10)17(26)24-15-13(21)4-2-5-18(15,19)20/h3,6-9,13,15H,2,4-5,21H2,1H3,(H,24,26)/t13-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length human N-terminal GST-tagged HCK expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Ephrin type-B receptor 2 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged cytoplasmic EPHB2 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Ephrin type-A receptor 8 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged cytoplasmic EPHA8 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536686 (CHEMBL4562217) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCC[C@H]1N |r| Show InChI InChI=1S/C20H21N7OS/c1-26-9-14(7-23-26)13-6-22-19-15(8-24-27(19)10-13)12-5-18(29-11-12)20(28)25-17-4-2-3-16(17)21/h5-11,16-17H,2-4,21H2,1H3,(H,25,28)/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB 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
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged SRC expressed in baculovirus expression system by Adapta assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain expressed in baculovirus expression system by Adapta assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged DYRK1A expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cytoplasmic CSF1R expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cytoplasmic KDR expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged LCK expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged CDK7 expressed in baculovirus expression system by Adapta assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
NUAK family SNF1-like kinase 1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged NUAK1 expressed in baculovirus expression system by Adapta assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST and His-tagged CDK5/P25 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST and His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system by LanthaScreen as...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
NUAK family SNF1-like kinase 1 (Homo sapiens (Human))	BDBM50208911 (CHEMBL3884319) Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r| Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His-tagged NUAK1 expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 114-120 (2017) Article DOI: 10.1016/j.bmcl.2016.08.068 BindingDB Entry DOI: 10.7270/Q2N018JC
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536681 (CHEMBL4552628) Show SMILES Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r| Show InChI InChI=1S/C18H18ClF2N5OS/c1-9-11(12-7-24-26-8-10(19)6-23-16(12)26)5-14(28-9)17(27)25-15-13(22)3-2-4-18(15,20)21/h5-8,13,15H,2-4,22H2,1H3,(H,25,27)/t13-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536676 (CHEMBL4593028) Show SMILES COCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C22H19F3N4O3S/c1-31-6-7-32-17-4-2-14(3-5-17)16-9-26-20-18(10-28-29(20)11-16)15-8-19(33-12-15)21(30)27-13-22(23,24)25/h2-5,8-12H,6-7,13H2,1H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged MINK1 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50536678 (CHEMBL4550702) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C17H13F3N6OS/c1-25-6-12(4-23-25)11-3-21-15-13(5-24-26(15)7-11)10-2-14(28-8-10)16(27)22-9-17(18,19)20/h2-8H,9H2,1H3,(H,22,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 26 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MST4 expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged IKK-epsilon expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50208911 (CHEMBL3884319) Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r| Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1	PDB 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	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged FLT3 cytoplasmic domain (564 to 958 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 114-120 (2017) Article DOI: 10.1016/j.bmcl.2016.08.068 BindingDB Entry DOI: 10.7270/Q2N018JC
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50536679 (CHEMBL4568087) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged RPS6KB1 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114798 (CHEMBL3608381) Show SMILES COc1cc(ccc1-c1ccnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H23F4N5O2/c1-16-12-17(10-11-32-16)19-7-6-18(13-25(19)38-2)22-14-36(34-33-22)24-9-8-20-21(28)4-3-5-23(20)35(26(24)37)15-27(29,30)31/h3-7,10-14,24H,8-9,15H2,1-2H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair

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