Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha/beta' and Ligand = 'BDBM220063'   

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/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM220063 (BDBM220095 | US9303033, G48, Table 58A, Compound 3...) Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3cccc(c3)-n3cccn3)nc12 Show InChI InChI=1S/C22H19N9O2/c32-21-17(27-22(33)29-21)9-13-12-24-31-19(26-14-5-6-14)11-18(28-20(13)31)25-15-3-1-4-16(10-15)30-8-2-7-23-30/h1-4,7-12,14,26H,5-6H2,(H,25,28)(H2,27,29,32,33)/b17-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.2	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...				US Patent US9303033 (2016) BindingDB Entry DOI: 10.7270/Q2CN72RX
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM220063 (BDBM220095 | US9303033, G48, Table 58A, Compound 3...) Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3cccc(c3)-n3cccn3)nc12 Show InChI InChI=1S/C22H19N9O2/c32-21-17(27-22(33)29-21)9-13-12-24-31-19(26-14-5-6-14)11-18(28-20(13)31)25-15-3-1-4-16(10-15)30-8-2-7-23-30/h1-4,7-12,14,26H,5-6H2,(H,25,28)(H2,27,29,32,33)/b17-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.2	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...				US Patent US9303033 (2016) BindingDB Entry DOI: 10.7270/Q2CN72RX
					More data for this Ligand-Target Pair