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SMILES: Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1cccnc1

InChI Key:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50579738   
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
Choline kinase alpha


(Homo sapiens (Human))		BDBM50579738
PNG
(CHEMBL5089062)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1cccnc1 |r,wU:10.11,13.18,(46.3,-36.42,;46.31,-37.96,;47.65,-38.72,;47.65,-40.28,;46.31,-41.05,;44.98,-40.28,;43.51,-40.75,;42.61,-39.5,;43.52,-38.26,;44.98,-38.74,;43.03,-42.22,;41.53,-42.52,;41.05,-43.98,;42.07,-45.13,;43.58,-44.82,;44.07,-43.35,;41.59,-46.6,;42.61,-47.75,;40.08,-46.91,;39.05,-45.76,;39.54,-44.3,;38.52,-43.15,;37.01,-43.46,;36.53,-44.94,;37.55,-46.08,)|
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n/an/a 421n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF
More data for this
Ligand-Target Pair