BDBM218886 US9303033, O36, Table 41A, Compound 1::US9303033, R2, Table 9A, Compound 3

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

InChI Key: InChIKey=BFKWWMRDPZCHKV-URQBRDCWSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 218886   

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 alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM218886 (US9303033, O36, Table 41A, Compound 1 | US9303033,...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:1.0,wD:4.7,(-8.26,1.91,;-6.92,1.14,;-5.59,1.91,;-4.25,1.14,;-4.25,-.4,;-5.59,-1.17,;-6.92,-.4,;-2.92,-1.17,;-1.59,-.4,;-1.59,1.14,;-.25,1.91,;-.25,3.45,;1.08,4.22,;2.62,4.22,;1.85,5.56,;1.08,1.14,;2.54,1.62,;3.45,.37,;2.54,-.87,;2.94,-2.36,;4.43,-2.76,;5.68,-1.85,;6.92,-2.76,;8.26,-1.99,;6.45,-4.22,;4.91,-4.22,;4.14,-5.56,;1.08,-.4,;-.25,-1.17,)| Show InChI InChI=1S/C19H24N8O2/c20-11-1-3-12(4-2-11)22-15-8-16(23-13-5-6-13)27-17(25-15)10(9-21-27)7-14-18(28)26-19(29)24-14/h7-9,11-13,23H,1-6,20H2,(H,22,25)(H2,24,26,28,29)/b14-7-/t11-,12-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 (CK2 beta) (Homo sapiens (Human))	BDBM218886 (US9303033, O36, Table 41A, Compound 1 | US9303033,...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:1.0,wD:4.7,(-8.26,1.91,;-6.92,1.14,;-5.59,1.91,;-4.25,1.14,;-4.25,-.4,;-5.59,-1.17,;-6.92,-.4,;-2.92,-1.17,;-1.59,-.4,;-1.59,1.14,;-.25,1.91,;-.25,3.45,;1.08,4.22,;2.62,4.22,;1.85,5.56,;1.08,1.14,;2.54,1.62,;3.45,.37,;2.54,-.87,;2.94,-2.36,;4.43,-2.76,;5.68,-1.85,;6.92,-2.76,;8.26,-1.99,;6.45,-4.22,;4.91,-4.22,;4.14,-5.56,;1.08,-.4,;-.25,-1.17,)| Show InChI InChI=1S/C19H24N8O2/c20-11-1-3-12(4-2-11)22-15-8-16(23-13-5-6-13)27-17(25-15)10(9-21-27)7-14-18(28)26-19(29)24-14/h7-9,11-13,23H,1-6,20H2,(H,22,25)(H2,24,26,28,29)/b14-7-/t11-,12-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	253	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 alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM218886 (US9303033, O36, Table 41A, Compound 1 | US9303033,...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:1.0,wD:4.7,(-8.26,1.91,;-6.92,1.14,;-5.59,1.91,;-4.25,1.14,;-4.25,-.4,;-5.59,-1.17,;-6.92,-.4,;-2.92,-1.17,;-1.59,-.4,;-1.59,1.14,;-.25,1.91,;-.25,3.45,;1.08,4.22,;2.62,4.22,;1.85,5.56,;1.08,1.14,;2.54,1.62,;3.45,.37,;2.54,-.87,;2.94,-2.36,;4.43,-2.76,;5.68,-1.85,;6.92,-2.76,;8.26,-1.99,;6.45,-4.22,;4.91,-4.22,;4.14,-5.56,;1.08,-.4,;-.25,-1.17,)| Show InChI InChI=1S/C19H24N8O2/c20-11-1-3-12(4-2-11)22-15-8-16(23-13-5-6-13)27-17(25-15)10(9-21-27)7-14-18(28)26-19(29)24-14/h7-9,11-13,23H,1-6,20H2,(H,22,25)(H2,24,26,28,29)/b14-7-/t11-,12-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 (CK2 beta) (Homo sapiens (Human))	BDBM218886 (US9303033, O36, Table 41A, Compound 1 | US9303033,...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:1.0,wD:4.7,(-8.26,1.91,;-6.92,1.14,;-5.59,1.91,;-4.25,1.14,;-4.25,-.4,;-5.59,-1.17,;-6.92,-.4,;-2.92,-1.17,;-1.59,-.4,;-1.59,1.14,;-.25,1.91,;-.25,3.45,;1.08,4.22,;2.62,4.22,;1.85,5.56,;1.08,1.14,;2.54,1.62,;3.45,.37,;2.54,-.87,;2.94,-2.36,;4.43,-2.76,;5.68,-1.85,;6.92,-2.76,;8.26,-1.99,;6.45,-4.22,;4.91,-4.22,;4.14,-5.56,;1.08,-.4,;-.25,-1.17,)| Show InChI InChI=1S/C19H24N8O2/c20-11-1-3-12(4-2-11)22-15-8-16(23-13-5-6-13)27-17(25-15)10(9-21-27)7-14-18(28)26-19(29)24-14/h7-9,11-13,23H,1-6,20H2,(H,22,25)(H2,24,26,28,29)/b14-7-/t11-,12-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	878	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