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PubMed code 25255433

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))		BDBM50028529
PNG
(CHEMBL3355597)
Show SMILES Clc1cccc(Cl)c1COc1nnc(COc2ccccc2\C=C2\SC(=O)NC2=O)o1
Show InChI InChI=1S/C20H13Cl2N3O5S/c21-13-5-3-6-14(22)12(13)9-29-20-25-24-17(30-20)10-28-15-7-2-1-4-11(15)8-16-18(26)23-19(27)31-16/h1-8H,9-10H2,(H,23,26,27)/b16-8+
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PC cid
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Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Eur J Med Chem 87: 175-85 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.010
BindingDB Entry DOI: 10.7270/Q2T72K08
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50028526
PNG
(CHEMBL3338895)
Show SMILES O=C1NC(=O)\C(S1)=C/c1ccccc1OCc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C19H13N3O4S/c23-17-15(27-19(24)20-17)10-13-8-4-5-9-14(13)25-11-16-21-22-18(26-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,23,24)/b15-10+
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PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Eur J Med Chem 87: 175-85 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.010
BindingDB Entry DOI: 10.7270/Q2T72K08
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%