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SMILES: COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1

InChI Key: InChIKey=NRXBXXWPTCSSMB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 165518   

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))	BDBM165518 (US9062043, Table 14, Compound 53) Show SMILES COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1 Show InChI InChI=1S/C20H16N6O2S/c1-27-12-4-6-17(28-2)16(10-12)22-20-14-7-8-29-18(14)13-5-3-11(9-15(13)21-20)19-23-25-26-24-19/h3-10H,1-2H3,(H,21,22)(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+4	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))	BDBM165518 (US9062043, Table 14, Compound 53) Show SMILES COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1 Show InChI InChI=1S/C20H16N6O2S/c1-27-12-4-6-17(28-2)16(10-12)22-20-14-7-8-29-18(14)13-5-3-11(9-15(13)21-20)19-23-25-26-24-19/h3-10H,1-2H3,(H,21,22)(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	358	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