Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50031303   

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))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of GST-tagged MAPKAPK2 assessed as [33P] incorporation after 40 mins by scintillation proximity assay				J Nat Prod 72: 1699-701 (2009) Article DOI: 10.1021/np900246t BindingDB Entry DOI: 10.7270/Q2X0675D
					More data for this Ligand-Target Pair				3D Structure (docked)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50310786 (CHEMBL1078220 | guttiferone P) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][C@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O |r,TLB:48:47:34.45.32:18.11.12| Show InChI InChI=1S/C43H58O6/c1-27(2)13-11-15-31(9)21-23-42-26-33(18-16-29(5)6)41(10,22-12-14-28(3)4)43(40(42)49,24-20-30(7)8)39(48)36(38(42)47)37(46)32-17-19-34(44)35(45)25-32/h13-14,16-17,19-21,25,33,36,44-45H,11-12,15,18,22-24,26H2,1-10H3/b31-21+/t33-,36?,41+,42+,43-/m1/s1	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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of GST-tagged MAPKAPK2 assessed as [33P] incorporation after 40 mins by scintillation proximity assay				J Nat Prod 72: 1699-701 (2009) Article DOI: 10.1021/np900246t BindingDB Entry DOI: 10.7270/Q2X0675D
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50310785 (CHEMBL1078219 | guttiferone O) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][C@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O |r,TLB:48:47:34.45.32:18.11.12| Show InChI InChI=1S/C43H58O6/c1-27(2)13-11-15-30(7)21-23-42-26-33(19-17-29(5)6)41(9,10)43(40(42)49,24-22-31(8)16-12-14-28(3)4)39(48)36(38(42)47)37(46)32-18-20-34(44)35(45)25-32/h13-14,17-18,20-22,25,33,36,44-45H,11-12,15-16,19,23-24,26H2,1-10H3/b30-21+,31-22+/t33-,36?,42+,43-/m1/s1	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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of GST-tagged MAPKAPK2 assessed as [33P] incorporation after 40 mins by scintillation proximity assay				J Nat Prod 72: 1699-701 (2009) Article DOI: 10.1021/np900246t BindingDB Entry DOI: 10.7270/Q2X0675D
					More data for this Ligand-Target Pair