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PubMed code 22390538

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))		BDBM50385911
PNG
(CHEMBL531475 | TCMDC-133351)
Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17N3O3S/c1-24-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21)
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Similars
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks assay

J Med Chem 55: 3479-87 (2012)


Article DOI: 10.1021/jm3001373
BindingDB Entry DOI: 10.7270/Q2V125T9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50385912
PNG
(CHEMBL2041980)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks assay

J Med Chem 55: 3479-87 (2012)


Article DOI: 10.1021/jm3001373
BindingDB Entry DOI: 10.7270/Q2V125T9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%