Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM50530332'   

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))	BDBM50530332 (CHEMBL4439686) Show SMILES CCc1ccccc1-c1c(Cl)cc(CNCCc2nc3ccccc3[nH]2)cc1Cl |(16,-37.2,;14.66,-36.43,;13.33,-37.2,;13.34,-38.74,;12,-39.52,;10.67,-38.75,;10.67,-37.21,;12,-36.44,;12,-34.9,;10.67,-34.13,;9.33,-34.9,;10.67,-32.59,;12,-31.82,;11.99,-30.28,;13.32,-29.5,;13.32,-27.96,;14.65,-27.19,;14.65,-25.65,;15.88,-24.74,;15.4,-23.27,;16.16,-21.94,;15.39,-20.62,;13.85,-20.63,;13.09,-21.96,;13.86,-23.28,;13.39,-24.74,;13.33,-32.58,;13.34,-34.13,;14.67,-34.9,)| Show InChI InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of CK2alpha (unknown origin) using RRRADDSDDDD substrate incubated for 40 mins by ADP-Glo kinase assay				J Med Chem 62: 1817-1836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01765 BindingDB Entry DOI: 10.7270/Q2SJ1Q27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50530332 (CHEMBL4439686) Show SMILES CCc1ccccc1-c1c(Cl)cc(CNCCc2nc3ccccc3[nH]2)cc1Cl |(16,-37.2,;14.66,-36.43,;13.33,-37.2,;13.34,-38.74,;12,-39.52,;10.67,-38.75,;10.67,-37.21,;12,-36.44,;12,-34.9,;10.67,-34.13,;9.33,-34.9,;10.67,-32.59,;12,-31.82,;11.99,-30.28,;13.32,-29.5,;13.32,-27.96,;14.65,-27.19,;14.65,-25.65,;15.88,-24.74,;15.4,-23.27,;16.16,-21.94,;15.39,-20.62,;13.85,-20.63,;13.09,-21.96,;13.86,-23.28,;13.39,-24.74,;13.33,-32.58,;13.34,-34.13,;14.67,-34.9,)| Show InChI InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CK2alpha (unknown origin) incubated for 40 mins by ADP-Glo kinase assay				J Med Chem 62: 1803-1816 (2019) Article DOI: 10.1021/acs.jmedchem.8b01766 BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50530332 (CHEMBL4439686) Show SMILES CCc1ccccc1-c1c(Cl)cc(CNCCc2nc3ccccc3[nH]2)cc1Cl |(16,-37.2,;14.66,-36.43,;13.33,-37.2,;13.34,-38.74,;12,-39.52,;10.67,-38.75,;10.67,-37.21,;12,-36.44,;12,-34.9,;10.67,-34.13,;9.33,-34.9,;10.67,-32.59,;12,-31.82,;11.99,-30.28,;13.32,-29.5,;13.32,-27.96,;14.65,-27.19,;14.65,-25.65,;15.88,-24.74,;15.4,-23.27,;16.16,-21.94,;15.39,-20.62,;13.85,-20.63,;13.09,-21.96,;13.86,-23.28,;13.39,-24.74,;13.33,-32.58,;13.34,-34.13,;14.67,-34.9,)| Show InChI InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CK2alpha (unknown origin) incubated for 40 mins by ADP-Glo kinase assay				J Med Chem 62: 1803-1816 (2019) Article DOI: 10.1021/acs.jmedchem.8b01766 BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50530332 (CHEMBL4439686) Show SMILES CCc1ccccc1-c1c(Cl)cc(CNCCc2nc3ccccc3[nH]2)cc1Cl |(16,-37.2,;14.66,-36.43,;13.33,-37.2,;13.34,-38.74,;12,-39.52,;10.67,-38.75,;10.67,-37.21,;12,-36.44,;12,-34.9,;10.67,-34.13,;9.33,-34.9,;10.67,-32.59,;12,-31.82,;11.99,-30.28,;13.32,-29.5,;13.32,-27.96,;14.65,-27.19,;14.65,-25.65,;15.88,-24.74,;15.4,-23.27,;16.16,-21.94,;15.39,-20.62,;13.85,-20.63,;13.09,-21.96,;13.86,-23.28,;13.39,-24.74,;13.33,-32.58,;13.34,-34.13,;14.67,-34.9,)| Show InChI InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of CK2alpha (unknown origin) using RRRADDSDDDD substrate incubated for 40 mins by ADP-Glo kinase assay				J Med Chem 62: 1817-1836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01765 BindingDB Entry DOI: 10.7270/Q2SJ1Q27
					More data for this Ligand-Target Pair				3D Structure (crystal)