Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM165396'   

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))	BDBM165396 (US8168651, Compound TABLE 16.64 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21 Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.2	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (A...				US Patent US9062043 (2015) BindingDB Entry DOI: 10.7270/Q20G3HWF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165396 (US8168651, Compound TABLE 16.64 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21 Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165396 (US8168651, Compound TABLE 16.64 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21 Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description The human leukemia Jurkat T-cell line was maintained in RPMI 1640 (Cambrex) supplemented with 10% fetal calf serum and 50 ng/ml Geutamycin. Before tr...				US Patent US9062043 (2015) BindingDB Entry DOI: 10.7270/Q20G3HWF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165396 (US8168651, Compound TABLE 16.64 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21 Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	>750	n/a	n/a	n/a	n/a	7.2	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (A...				US Patent US9062043 (2015) BindingDB Entry DOI: 10.7270/Q20G3HWF
					More data for this Ligand-Target Pair				3D Structure (crystal)