BDBM219158 US9303033, E13, Table 24A, Compound 3

SMILES: O=C(NCCN1CCCC1)c1cc(cs1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1

InChI Key: InChIKey=CMQRGXXLQXTARR-NVMNQCDNSA-N

Data: 2 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 2 hits for monomerid = 219158   

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)	BDBM219158 (US9303033, E13, Table 24A, Compound 3) Show SMILES O=C(NCCN1CCCC1)c1cc(cs1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 Show InChI InChI=1S/C24H26N8O3S/c33-22-18(29-24(35)30-22)9-14-12-26-32-20(27-16-3-4-16)11-17(28-21(14)32)15-10-19(36-13-15)23(34)25-5-8-31-6-1-2-7-31/h9-13,16,27H,1-8H2,(H,25,34)(H2,29,30,33,35)/b18-9-	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))	BDBM219158 (US9303033, E13, Table 24A, Compound 3) Show SMILES O=C(NCCN1CCCC1)c1cc(cs1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 Show InChI InChI=1S/C24H26N8O3S/c33-22-18(29-24(35)30-22)9-14-12-26-32-20(27-16-3-4-16)11-17(28-21(14)32)15-10-19(36-13-15)23(34)25-5-8-31-6-1-2-7-31/h9-13,16,27H,1-8H2,(H,25,34)(H2,29,30,33,35)/b18-9-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	982	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