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PubMed code 22148391

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))		BDBM50363237
PNG
(CHEMBL227875 | PA-824)
Show SMILES [O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Erg expressed in HEK293 cells by FAST patch clamp analysis

J Med Chem 55: 312-26 (2012)


Article DOI: 10.1021/jm2012276
BindingDB Entry DOI: 10.7270/Q2GF0TXG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50363238
PNG
(CHEMBL1945829)
Show SMILES [O-][N+](=O)c1cn2C[C@@H](COc2n1)OC(=O)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C18H18F3N5O6/c19-18(20,21)32-13-3-1-12(2-4-13)23-5-7-24(8-6-23)17(27)31-14-9-25-10-15(26(28)29)22-16(25)30-11-14/h1-4,10,14H,5-9,11H2/t14-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Erg expressed in HEK293 cells by FAST patch clamp analysis

J Med Chem 55: 312-26 (2012)


Article DOI: 10.1021/jm2012276
BindingDB Entry DOI: 10.7270/Q2GF0TXG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%