null

SMILES: COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1

InChI Key: InChIKey=DJXAOVVHHRACPC-WLOSUKBJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 218895   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM218895 (US9303033, C3, Table 10A, Compound 3 | US9303033, ...) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:5.4,wD:8.11,(-8.92,5.66,;-8.92,4.12,;-7.59,3.35,;-6.26,4.12,;-7.59,1.81,;-6.26,1.04,;-4.92,1.81,;-3.59,1.04,;-3.59,-.5,;-4.92,-1.27,;-6.26,-.5,;-2.25,-1.27,;-.92,-.5,;-.92,1.04,;.41,1.81,;.41,3.35,;1.75,4.12,;3.29,4.12,;2.52,5.45,;1.75,1.04,;3.21,1.52,;4.12,.27,;3.21,-.98,;3.61,-2.46,;5.1,-2.86,;6.34,-1.96,;7.59,-2.86,;8.92,-2.09,;7.11,-4.33,;5.57,-4.33,;4.8,-5.66,;1.75,-.5,;.41,-1.27,)| Show InChI InChI=1S/C21H26N8O4/c1-33-21(32)25-14-6-2-12(3-7-14)23-16-9-17(24-13-4-5-13)29-18(27-16)11(10-22-29)8-15-19(30)28-20(31)26-15/h8-10,12-14,24H,2-7H2,1H3,(H,23,27)(H,25,32)(H2,26,28,30,31)/b15-8-/t12-,14-	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 beta (Homo sapiens (Human))	BDBM218895 (US9303033, C3, Table 10A, Compound 3 | US9303033, ...) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:5.4,wD:8.11,(-8.92,5.66,;-8.92,4.12,;-7.59,3.35,;-6.26,4.12,;-7.59,1.81,;-6.26,1.04,;-4.92,1.81,;-3.59,1.04,;-3.59,-.5,;-4.92,-1.27,;-6.26,-.5,;-2.25,-1.27,;-.92,-.5,;-.92,1.04,;.41,1.81,;.41,3.35,;1.75,4.12,;3.29,4.12,;2.52,5.45,;1.75,1.04,;3.21,1.52,;4.12,.27,;3.21,-.98,;3.61,-2.46,;5.1,-2.86,;6.34,-1.96,;7.59,-2.86,;8.92,-2.09,;7.11,-4.33,;5.57,-4.33,;4.8,-5.66,;1.75,-.5,;.41,-1.27,)| Show InChI InChI=1S/C21H26N8O4/c1-33-21(32)25-14-6-2-12(3-7-14)23-16-9-17(24-13-4-5-13)29-18(27-16)11(10-22-29)8-15-19(30)28-20(31)26-15/h8-10,12-14,24H,2-7H2,1H3,(H,23,27)(H,25,32)(H2,26,28,30,31)/b15-8-/t12-,14-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	7.0	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 mM MOPS pH ...				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)	BDBM218895 (US9303033, C3, Table 10A, Compound 3 | US9303033, ...) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:5.4,wD:8.11,(-8.92,5.66,;-8.92,4.12,;-7.59,3.35,;-6.26,4.12,;-7.59,1.81,;-6.26,1.04,;-4.92,1.81,;-3.59,1.04,;-3.59,-.5,;-4.92,-1.27,;-6.26,-.5,;-2.25,-1.27,;-.92,-.5,;-.92,1.04,;.41,1.81,;.41,3.35,;1.75,4.12,;3.29,4.12,;2.52,5.45,;1.75,1.04,;3.21,1.52,;4.12,.27,;3.21,-.98,;3.61,-2.46,;5.1,-2.86,;6.34,-1.96,;7.59,-2.86,;8.92,-2.09,;7.11,-4.33,;5.57,-4.33,;4.8,-5.66,;1.75,-.5,;.41,-1.27,)| Show InChI InChI=1S/C21H26N8O4/c1-33-21(32)25-14-6-2-12(3-7-14)23-16-9-17(24-13-4-5-13)29-18(27-16)11(10-22-29)8-15-19(30)28-20(31)26-15/h8-10,12-14,24H,2-7H2,1H3,(H,23,27)(H,25,32)(H2,26,28,30,31)/b15-8-/t12-,14-	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 beta (Homo sapiens (Human))	BDBM218895 (US9303033, C3, Table 10A, Compound 3 | US9303033, ...) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:5.4,wD:8.11,(-8.92,5.66,;-8.92,4.12,;-7.59,3.35,;-6.26,4.12,;-7.59,1.81,;-6.26,1.04,;-4.92,1.81,;-3.59,1.04,;-3.59,-.5,;-4.92,-1.27,;-6.26,-.5,;-2.25,-1.27,;-.92,-.5,;-.92,1.04,;.41,1.81,;.41,3.35,;1.75,4.12,;3.29,4.12,;2.52,5.45,;1.75,1.04,;3.21,1.52,;4.12,.27,;3.21,-.98,;3.61,-2.46,;5.1,-2.86,;6.34,-1.96,;7.59,-2.86,;8.92,-2.09,;7.11,-4.33,;5.57,-4.33,;4.8,-5.66,;1.75,-.5,;.41,-1.27,)| Show InChI InChI=1S/C21H26N8O4/c1-33-21(32)25-14-6-2-12(3-7-14)23-16-9-17(24-13-4-5-13)29-18(27-16)11(10-22-29)8-15-19(30)28-20(31)26-15/h8-10,12-14,24H,2-7H2,1H3,(H,23,27)(H,25,32)(H2,26,28,30,31)/b15-8-/t12-,14-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	679	n/a	n/a	n/a	n/a	7.0	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description 5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...				US Patent US9303033 (2016) BindingDB Entry DOI: 10.7270/Q2CN72RX
					More data for this Ligand-Target Pair