Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 22 entry = 50039578   

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))	BDBM50362169 (CHEMBL1938680) Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)	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	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380303 (CHEMBL2017457) Show SMILES Clc1ccc(cc1)-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C22H21ClN4O/c23-17-6-4-16(5-7-17)20-2-1-3-21(26-20)22(28)25-18-8-10-19(11-9-18)27-14-12-24-13-15-27/h1-11,24H,12-15H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM51932 (5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)ph...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H22ClN3O2/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)24-22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11H,12-15H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380302 (CHEMBL2017456) Show SMILES Clc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C20H19ClN4O2/c21-15-3-1-14(2-4-15)19-13-18(24-27-19)20(26)23-16-5-7-17(8-6-16)25-11-9-22-10-12-25/h1-8,13,22H,9-12H2,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380310 (CHEMBL2017619) Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccncc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C27H25ClN4O2/c28-22-3-1-21(2-4-22)25-9-10-26(34-25)27(33)32(19-20-11-13-29-14-12-20)24-7-5-23(6-8-24)31-17-15-30-16-18-31/h1-14,30H,15-19H2	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	n/a	n/a	530	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380304 (CHEMBL2017458) Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C22H22ClN3O2/c1-25(18-6-8-19(9-7-18)26-14-12-24-13-15-26)22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11,24H,12-15H2,1H3	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	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380308 (CHEMBL2017462) Show SMILES CCCCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H28ClN3O2/c1-2-3-16-29(22-10-8-21(9-11-22)28-17-14-27-15-18-28)25(30)24-13-12-23(31-24)19-4-6-20(26)7-5-19/h4-13,27H,2-3,14-18H2,1H3	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	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380307 (CHEMBL2017461) Show SMILES CC(C)N(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26ClN3O2/c1-17(2)28(21-9-7-20(8-10-21)27-15-13-26-14-16-27)24(29)23-12-11-22(30-23)18-3-5-19(25)6-4-18/h3-12,17,26H,13-16H2,1-2H3	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	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380306 (CHEMBL2017460) Show SMILES CCCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26ClN3O2/c1-2-15-28(21-9-7-20(8-10-21)27-16-13-26-14-17-27)24(29)23-12-11-22(30-23)18-3-5-19(25)6-4-18/h3-12,26H,2,13-17H2,1H3	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	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380305 (CHEMBL2017459) Show SMILES CCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3	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	n/a	n/a	800	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380309 (CHEMBL2017463) Show SMILES Cn1ccnc1CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C26H26ClN5O2/c1-30-15-14-29-25(30)18-32(22-8-6-21(7-9-22)31-16-12-28-13-17-31)26(33)24-11-10-23(34-24)19-2-4-20(27)5-3-19/h2-11,14-15,28H,12-13,16-18H2,1H3	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	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair