BDBM165405 US9062043, Table 13, Compound 73::US9062043, Table 20b, Compound 35

SMILES: OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1nc(NCC3CCCO3)ncc21

InChI Key: InChIKey=UVCQRWOZWUTUEN-UHFFFAOYSA-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 = 165405   

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 (Homo sapiens (Human))	BDBM165405 (US9062043, Table 13, Compound 73 | US9062043, Tabl...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1nc(NCC3CCCO3)ncc21 Show InChI InChI=1S/C25H21N5O3/c1-2-15-5-3-6-17(11-15)28-23-22-20(19-9-8-16(24(31)32)12-21(19)29-23)14-27-25(30-22)26-13-18-7-4-10-33-18/h1,3,5-6,8-9,11-12,14,18H,4,7,10,13H2,(H,28,29)(H,31,32)(H,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	7.2	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (A...				US Patent US9062043 (2015) BindingDB Entry DOI: 10.7270/Q20G3HWF
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165405 (US9062043, Table 13, Compound 73 | US9062043, Tabl...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1nc(NCC3CCCO3)ncc21 Show InChI InChI=1S/C25H21N5O3/c1-2-15-5-3-6-17(11-15)28-23-22-20(19-9-8-16(24(31)32)12-21(19)29-23)14-27-25(30-22)26-13-18-7-4-10-33-18/h1,3,5-6,8-9,11-12,14,18H,4,7,10,13H2,(H,28,29)(H,31,32)(H,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description The human leukemia Jurkat T-cell line was maintained in RPMI 1640 (Cambrex) supplemented with 10% fetal calf serum and 50 ng/ml Geutamycin. Before tr...				US Patent US9062043 (2015) BindingDB Entry DOI: 10.7270/Q20G3HWF
					More data for this Ligand-Target Pair