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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 = 'BDBM50116832'   
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))
BDBM50116832
PNG
(CHEMBL3612925)
Show SMILES COc1cc(nc(C)c1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C25H30N4O5/c1-15-17(4-5-18-20(15)14-34-25(18)32)22(30)12-28-6-8-29(9-7-28)13-23(31)21-10-24(33-3)19(11-26)16(2)27-21/h4-5,10,22-23,30-31H,6-9,12-14H2,1-3H3/t22-,23?/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/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


ACS Med Chem Lett 6: 747-52 (2015)


Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50116832
PNG
(CHEMBL3612925)
Show SMILES COc1cc(nc(C)c1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C25H30N4O5/c1-15-17(4-5-18-20(15)14-34-25(18)32)22(30)12-28-6-8-29(9-7-28)13-23(31)21-10-24(33-3)19(11-26)16(2)27-21/h4-5,10,22-23,30-31H,6-9,12-14H2,1-3H3/t22-,23?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/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


ACS Med Chem Lett 6: 747-52 (2015)


Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair