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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50363946'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50363946
PNG
(CHEMBL1951771)
Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ncccn1 |r,wU:4.7,wD:10.13,1.0,(-5.61,-27.39,;-4.83,-28.74,;-4.02,-30.05,;-2.49,-30.02,;-1.74,-28.67,;-2.54,-27.35,;-4.09,-27.38,;-.2,-28.64,;.72,-29.87,;2.17,-29.36,;2.14,-27.82,;.67,-27.38,;3.47,-27.04,;4.81,-27.79,;4.83,-29.33,;6.14,-27,;7.48,-27.76,;8.8,-26.97,;8.78,-25.43,;10.15,-27.72,;10.16,-29.26,;11.5,-30.02,;12.82,-29.23,;12.8,-27.68,;11.46,-26.93,;14.12,-26.89,;15.47,-27.64,;14.1,-25.35,;15.45,-26.11,;-6.37,-28.77,;-7.17,-27.46,;-8.71,-27.49,;-9.45,-28.84,;-8.66,-30.16,;-7.11,-30.13,)|
Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-4-1-3-16(13-17)21(34)30-14-20(33)31-18-7-12-32(15-18)19-5-8-23(35,9-6-19)22-28-10-2-11-29-22/h1-4,10-11,13,18-19,35H,5-9,12,14-15H2,(H,30,34)(H,31,33)/t18-,19-,23-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a>30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of dofetidine from human Erg


ACS Med Chem Lett 2: 450-454 (2011)


Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116
More data for this
Ligand-Target Pair