Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50028726   

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
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)				Bioorg Med Chem Lett 19: 2920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.076 BindingDB Entry DOI: 10.7270/Q25B02CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM11319 ((5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)ace...) Show SMILES OC(=O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc21 Show InChI InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)				Bioorg Med Chem Lett 19: 2920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.076 BindingDB Entry DOI: 10.7270/Q25B02CC
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)				Bioorg Med Chem Lett 19: 2920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.076 BindingDB Entry DOI: 10.7270/Q25B02CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM11323 (4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole | 4,5,6,...) Show SMILES Brc1c(Br)c(Br)c2[nH]nnc2c1Br Show InChI InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)				Bioorg Med Chem Lett 19: 2920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.076 BindingDB Entry DOI: 10.7270/Q25B02CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM11318 (1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)				Bioorg Med Chem Lett 19: 2920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.076 BindingDB Entry DOI: 10.7270/Q25B02CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM11324 ((2R,3R,4S,5R)-2-(5,6-dichloro-1H-1,3-benzodiazol-1...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)				Bioorg Med Chem Lett 19: 2920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.076 BindingDB Entry DOI: 10.7270/Q25B02CC
					More data for this Ligand-Target Pair				3D Structure (crystal)