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SMILES: CCNC(=O)O[C@H]1CC[C@@](CNc2nn(C)c3cccc(OC)c23)(CC1)c1ccccc1

InChI Key: InChIKey=AYMVSAPTKYQTRO-FEHRVWHQSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022113   
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
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))		BDBM50022113
PNG
(CHEMBL3298231)
Show SMILES CCNC(=O)O[C@H]1CC[C@@](CNc2nn(C)c3cccc(OC)c23)(CC1)c1ccccc1 |r,wU:9.9,6.5,(16.91,-27.75,;15.56,-28.49,;14.24,-27.7,;12.89,-28.44,;12.86,-29.98,;11.58,-27.64,;11.61,-26.1,;10.29,-25.3,;10.33,-23.76,;11.68,-23.02,;13.02,-22.27,;14.34,-23.07,;15.69,-22.32,;15.68,-20.79,;17.13,-20.3,;17.6,-18.82,;18.04,-21.53,;19.58,-21.69,;20.22,-23.1,;19.31,-24.35,;17.78,-24.19,;16.88,-25.44,;17.51,-26.85,;17.15,-22.78,;13,-23.81,;12.96,-25.35,;10.36,-22.23,;10.4,-20.69,;9.08,-19.9,;7.73,-20.64,;7.71,-22.19,;9.02,-22.98,)|
Show InChI InChI=1S/C25H32N4O3/c1-4-26-24(30)32-19-13-15-25(16-14-19,18-9-6-5-7-10-18)17-27-23-22-20(29(2)28-23)11-8-12-21(22)31-3/h5-12,19H,4,13-17H2,1-3H3,(H,26,30)(H,27,28)/t19-,25-
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Similars
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current

Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair