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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 = 'BDBM50275886'   
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))
BDBM50275886
PNG
(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyr...)
Show SMILES CCNC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C27H32N6O2S/c1-2-29-26(35)33-14-11-27(18-33)9-12-32(13-10-27)24-8-6-20(17-30-24)25(34)31-22-16-19(5-7-21(22)28)23-4-3-15-36-23/h3-8,15-17H,2,9-14,18,28H2,1H3,(H,29,35)(H,31,34)
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460n/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))
BDBM50275886
PNG
(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyr...)
Show SMILES CCNC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C27H32N6O2S/c1-2-29-26(35)33-14-11-27(18-33)9-12-32(13-10-27)24-8-6-20(17-30-24)25(34)31-22-16-19(5-7-21(22)28)23-4-3-15-36-23/h3-8,15-17H,2,9-14,18,28H2,1H3,(H,29,35)(H,31,34)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 5.00E+3n/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