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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50523594   
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))
BDBM50523594
PNG
(CHEMBL4453443)
Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wD:7.10,4.3,(78.66,-47.58,;77.89,-46.25,;76.35,-46.24,;78.67,-44.91,;77.9,-43.58,;78.67,-42.25,;77.9,-40.91,;76.37,-40.92,;75.59,-42.25,;76.36,-43.57,;75.6,-39.59,;74.06,-39.59,;73.28,-38.25,;71.74,-38.26,;70.98,-39.59,;71.75,-40.92,;73.29,-40.92,;69.44,-39.59,;68.67,-38.25,;67.13,-38.25,;66.36,-39.58,;67.13,-40.92,;68.67,-40.92,;64.83,-39.58,;63.92,-38.33,;62.45,-38.81,;61.12,-38.04,;59.79,-38.82,;58.45,-38.05,;59.78,-40.36,;61.12,-41.13,;62.45,-40.35,;63.92,-40.83,)|
Show InChI InChI=1S/C25H23ClN4O3/c26-18-5-9-21-22(12-18)30-25(29-21)17-3-8-20(27-14-17)16-4-10-23(28-13-16)33-19-6-1-15(2-7-19)11-24(31)32/h3-5,8-10,12-15,19H,1-2,6-7,11H2,(H,29,30)(H,31,32)/t15-,19+
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MMDB

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PC cid
PC sid
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Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 29: 1380-1385 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.039
BindingDB Entry DOI: 10.7270/Q2348PSJ
More data for this
Ligand-Target Pair