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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50123568'   
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))
BDBM50123568
PNG
(CHEMBL3622203)
Show SMILES [H][C@@]1(CNC(=O)O1)[C@@H](C)Oc1nc(cc2ncsc12)-c1cnn(c1)C(F)F |r|
Show InChI InChI=1/C15H13F2N5O3S/c1-7(11-4-18-15(23)25-11)24-13-12-10(19-6-26-12)2-9(21-13)8-3-20-22(5-8)14(16)17/h2-3,5-7,11,14H,4H2,1H3,(H,18,23)/t7-,11-/s2
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PC cid
PC sid
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated patch clamp assay


Bioorg Med Chem Lett 25: 4642-7 (2015)


BindingDB Entry DOI: 10.7270/Q2XD13HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50123568
PNG
(CHEMBL3622203)
Show SMILES [H][C@@]1(CNC(=O)O1)[C@@H](C)Oc1nc(cc2ncsc12)-c1cnn(c1)C(F)F |r|
Show InChI InChI=1/C15H13F2N5O3S/c1-7(11-4-18-15(23)25-11)24-13-12-10(19-6-26-12)2-9(21-13)8-3-20-22(5-8)14(16)17/h2-3,5-7,11,14H,4H2,1H3,(H,18,23)/t7-,11-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by binding assay


Bioorg Med Chem Lett 25: 4642-7 (2015)


BindingDB Entry DOI: 10.7270/Q2XD13HG
More data for this
Ligand-Target Pair