null

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

InChI Key: InChIKey=KOWNENOOSKDGQV-QBUKKXEESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 218893   

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)	BDBM218893 (US9303033, A3, Table 10A, Compound 1 | US9303033, ...) Show SMILES CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)| Show InChI InChI=1S/C21H26N8O3/c1-11(30)23-13-2-4-14(5-3-13)24-17-9-18(25-15-6-7-15)29-19(27-17)12(10-22-29)8-16-20(31)28-21(32)26-16/h8-10,13-15,25H,2-7H2,1H3,(H,23,30)(H,24,27)(H2,26,28,31,32)/b16-8-/t13-,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 alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM218893 (US9303033, A3, Table 10A, Compound 1 | US9303033, ...) Show SMILES CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)| Show InChI InChI=1S/C21H26N8O3/c1-11(30)23-13-2-4-14(5-3-13)24-17-9-18(25-15-6-7-15)29-19(27-17)12(10-22-29)8-16-20(31)28-21(32)26-16/h8-10,13-15,25H,2-7H2,1H3,(H,23,30)(H,24,27)(H2,26,28,31,32)/b16-8-/t13-,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))	BDBM218893 (US9303033, A3, Table 10A, Compound 1 | US9303033, ...) Show SMILES CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)| Show InChI InChI=1S/C21H26N8O3/c1-11(30)23-13-2-4-14(5-3-13)24-17-9-18(25-15-6-7-15)29-19(27-17)12(10-22-29)8-16-20(31)28-21(32)26-16/h8-10,13-15,25H,2-7H2,1H3,(H,23,30)(H,24,27)(H2,26,28,31,32)/b16-8-/t13-,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 beta (Homo sapiens (Human))	BDBM218893 (US9303033, A3, Table 10A, Compound 1 | US9303033, ...) Show SMILES CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)| Show InChI InChI=1S/C21H26N8O3/c1-11(30)23-13-2-4-14(5-3-13)24-17-9-18(25-15-6-7-15)29-19(27-17)12(10-22-29)8-16-20(31)28-21(32)26-16/h8-10,13-15,25H,2-7H2,1H3,(H,23,30)(H,24,27)(H2,26,28,31,32)/b16-8-/t13-,14?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	476	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
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM218893 (US9303033, A3, Table 10A, Compound 1 | US9303033, ...) Show SMILES CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)| Show InChI InChI=1S/C21H26N8O3/c1-11(30)23-13-2-4-14(5-3-13)24-17-9-18(25-15-6-7-15)29-19(27-17)12(10-22-29)8-16-20(31)28-21(32)26-16/h8-10,13-15,25H,2-7H2,1H3,(H,23,30)(H,24,27)(H2,26,28,31,32)/b16-8-/t13-,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))	BDBM218893 (US9303033, A3, Table 10A, Compound 1 | US9303033, ...) Show SMILES CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)| Show InChI InChI=1S/C21H26N8O3/c1-11(30)23-13-2-4-14(5-3-13)24-17-9-18(25-15-6-7-15)29-19(27-17)12(10-22-29)8-16-20(31)28-21(32)26-16/h8-10,13-15,25H,2-7H2,1H3,(H,23,30)(H,24,27)(H2,26,28,31,32)/b16-8-/t13-,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 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