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BDBM50172252 CHEMBL3809526

SMILES: CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@H](N)C1

InChI Key: InChIKey=GRYREHYYNMWLNZ-INIZCTEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172252   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50172252
PNG
(CHEMBL3809526)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C23H27N9O/c1-14(33)27-19-9-18(6-7-20(19)31-8-2-3-16(25)13-31)28-21-10-22(29-17-4-5-17)32-23(30-21)15(11-24)12-26-32/h6-7,9-10,12,16-17,29H,2-5,8,13,25H2,1H3,(H,27,33)(H,28,30)/t16-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...

ACS Med Chem Lett 7: 300-5 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NRM
More data for this
Ligand-Target Pair