Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50038314   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374683 (CHEMBL258045) Show SMILES CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C25H28N6O3S/c1-30-9-5-17(6-10-30)27-22(33)18-13-35-24(28-18)29-21(32)16-4-3-15-11-20-23(34)26-14-25(7-2-8-25)31(20)19(15)12-16/h3-4,11-13,17H,2,5-10,14H2,1H3,(H,26,34)(H,27,33)(H,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374681 (CHEMBL257834) Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374682 (CHEMBL403154) Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)n1 Show InChI InChI=1S/C28H36N6O3S/c1-27(2,3)16-33-10-8-19(9-11-33)30-24(36)20-14-38-26(31-20)32-23(35)18-7-6-17-12-22-25(37)29-15-28(4,5)34(22)21(17)13-18/h6-7,12-14,19H,8-11,15-16H2,1-5H3,(H,29,37)(H,30,36)(H,31,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374687 (CHEMBL256194) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(CC(C)(C)C)CC1 |w:1.0| Show InChI InChI=1S/C27H34N6O3S/c1-16-13-28-25(36)22-11-17-5-6-18(12-21(17)33(16)22)23(34)31-26-30-20(14-37-26)24(35)29-19-7-9-32(10-8-19)15-27(2,3)4/h5-6,11-12,14,16,19H,7-10,13,15H2,1-4H3,(H,28,36)(H,29,35)(H,30,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374679 (CHEMBL403258) Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C31H32N6O3S/c38-27(22-8-7-21-15-26-29(40)32-19-31(11-4-12-31)37(26)25(21)16-22)35-30-34-24(18-41-30)28(39)33-23-9-13-36(14-10-23)17-20-5-2-1-3-6-20/h1-3,5-8,15-16,18,23H,4,9-14,17,19H2,(H,32,40)(H,33,39)(H,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374688 (CHEMBL255991) Show SMILES CC(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:30.31| Show InChI InChI=1S/C26H32N6O3S/c1-15(2)13-31-8-6-19(7-9-31)28-24(34)20-14-36-26(29-20)30-23(33)18-5-4-17-10-22-25(35)27-12-16(3)32(22)21(17)11-18/h4-5,10-11,14-16,19H,6-9,12-13H2,1-3H3,(H,27,35)(H,28,34)(H,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374693 (CHEMBL271309) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1 |w:1.0| Show InChI InChI=1S/C23H26N6O3S/c1-13-11-24-22(32)19-9-14-3-4-15(10-18(14)29(13)19)20(30)27-23-26-17(12-33-23)21(31)25-16-5-7-28(2)8-6-16/h3-4,9-10,12-13,16H,5-8,11H2,1-2H3,(H,24,32)(H,25,31)(H,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374684 (CHEMBL270148) Show SMILES CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)n1 Show InChI InChI=1S/C24H28N6O3S/c1-24(2)13-25-22(33)19-10-14-4-5-15(11-18(14)30(19)24)20(31)28-23-27-17(12-34-23)21(32)26-16-6-8-29(3)9-7-16/h4-5,10-12,16H,6-9,13H2,1-3H3,(H,25,33)(H,26,32)(H,27,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374680 (CHEMBL429504) Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H32N6O3S/c1-30(2)18-31-28(39)25-14-20-8-9-21(15-24(20)36(25)30)26(37)34-29-33-23(17-40-29)27(38)32-22-10-12-35(13-11-22)16-19-6-4-3-5-7-19/h3-9,14-15,17,22H,10-13,16,18H2,1-2H3,(H,31,39)(H,32,38)(H,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374689 (CHEMBL256196) Show SMILES CCN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:28.29| Show InChI InChI=1S/C24H28N6O3S/c1-3-29-8-6-17(7-9-29)26-22(32)18-13-34-24(27-18)28-21(31)16-5-4-15-10-20-23(33)25-12-14(2)30(20)19(15)11-16/h4-5,10-11,13-14,17H,3,6-9,12H2,1-2H3,(H,25,33)(H,26,32)(H,27,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374686 (CHEMBL403286) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1 |w:1.0| Show InChI InChI=1S/C29H30N6O3S/c1-18-15-30-28(38)25-13-20-7-8-21(14-24(20)35(18)25)26(36)33-29-32-23(17-39-29)27(37)31-22-9-11-34(12-10-22)16-19-5-3-2-4-6-19/h2-8,13-14,17-18,22H,9-12,15-16H2,1H3,(H,30,38)(H,31,37)(H,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374695 (CHEMBL246301) Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1 |w:1.0| Show InChI InChI=1S/C23H26N6O3S/c1-12-10-24-22(32)19-18(12)15-9-13(3-4-16(15)26-19)20(30)28-23-27-17(11-33-23)21(31)25-14-5-7-29(2)8-6-14/h3-4,9,11-12,14,26H,5-8,10H2,1-2H3,(H,24,32)(H,25,31)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374692 (CHEMBL272072) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCOCC1 |w:1.0| Show InChI InChI=1S/C22H23N5O4S/c1-12-10-23-21(30)18-8-13-2-3-14(9-17(13)27(12)18)19(28)26-22-25-16(11-32-22)20(29)24-15-4-6-31-7-5-15/h2-3,8-9,11-12,15H,4-7,10H2,1H3,(H,23,30)(H,24,29)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374685 (CHEMBL270150) Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H27N5O3S/c1-24(2)13-25-22(32)19-10-14-8-9-15(11-18(14)29(19)24)20(30)28-23-27-17(12-33-23)21(31)26-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H,25,32)(H,26,31)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374694 (CHEMBL409727) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 |w:1.0| Show InChI InChI=1S/C23H25N5O3S/c1-13-11-24-22(31)19-9-14-7-8-15(10-18(14)28(13)19)20(29)27-23-26-17(12-32-23)21(30)25-16-5-3-2-4-6-16/h7-10,12-13,16H,2-6,11H2,1H3,(H,24,31)(H,25,30)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374678 (CHEMBL246300) Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 |w:1.0| Show InChI InChI=1S/C23H25N5O3S/c1-12-10-24-22(31)19-18(12)15-9-13(7-8-16(15)26-19)20(29)28-23-27-17(11-32-23)21(30)25-14-5-3-2-4-6-14/h7-9,11-12,14,26H,2-6,10H2,1H3,(H,24,31)(H,25,30)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374691 (CHEMBL437033) Show SMILES CC1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:27.28,(10.96,-17.91,;12.5,-17.94,;13.29,-16.62,;14.82,-16.64,;15.57,-17.98,;14.79,-19.31,;13.25,-19.28,;17.12,-18,;18.02,-16.76,;17.4,-15.35,;19.56,-16.92,;20.32,-18.25,;21.83,-17.93,;21.99,-16.41,;23.32,-15.64,;24.66,-16.41,;24.65,-17.95,;25.99,-15.64,;25.99,-14.1,;27.32,-13.33,;28.65,-14.09,;30.12,-13.62,;31.03,-14.86,;32.56,-15.02,;33.47,-13.78,;33.18,-16.44,;32.26,-17.69,;30.73,-17.52,;29.82,-18.75,;30.11,-16.11,;28.65,-15.64,;27.32,-16.41,;20.59,-15.78,)| Show InChI InChI=1S/C24H27N5O3S/c1-13-3-7-17(8-4-13)26-22(31)18-12-33-24(27-18)28-21(30)16-6-5-15-9-20-23(32)25-11-14(2)29(20)19(15)10-16/h5-6,9-10,12-14,17H,3-4,7-8,11H2,1-2H3,(H,25,32)(H,26,31)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374690 (CHEMBL271863) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NCC(C)(C)C |w:1.0| Show InChI InChI=1S/C22H25N5O3S/c1-12-9-23-20(30)17-7-13-5-6-14(8-16(13)27(12)17)18(28)26-21-25-15(10-31-21)19(29)24-11-22(2,3)4/h5-8,10,12H,9,11H2,1-4H3,(H,23,30)(H,24,29)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50374681 (CHEMBL257834) Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CLK1				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50374681 (CHEMBL257834) Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of NIK				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374681 (CHEMBL257834) Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in THP1 cells				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50374681 (CHEMBL257834) Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50374681 (CHEMBL257834) Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Erk2				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50374681 (CHEMBL257834) Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MK2-mediated anisomycin-stimulated p38alpha phosphorylation in HeLa cells by flow cytometry				Bioorg Med Chem Lett 18: 938-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.037 BindingDB Entry DOI: 10.7270/Q22B8ZWZ
					More data for this Ligand-Target Pair