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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 = 'BDBM50276028'   
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))
BDBM50276028
PNG
(CHEMBL469514 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
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PC cid
PC sid
UniChem
Article
PubMed
8.62E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276028
PNG
(CHEMBL469514 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair