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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 = 'BDBM50116831'   
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))
BDBM50116831
PNG
(CHEMBL3612927)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(c(cn2)C#N)C(F)(F)F)CC1 |r|
Show InChI InChI=1S/C24H25F3N4O4/c1-14-16(2-3-17-18(14)13-35-23(17)34)21(32)11-30-4-6-31(7-5-30)12-22(33)20-8-19(24(25,26)27)15(9-28)10-29-20/h2-3,8,10,21-22,32-33H,4-7,11-13H2,1H3/t21-,22?/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a 4.80E+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))
BDBM50116831
PNG
(CHEMBL3612927)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(c(cn2)C#N)C(F)(F)F)CC1 |r|
Show InChI InChI=1S/C24H25F3N4O4/c1-14-16(2-3-17-18(14)13-35-23(17)34)21(32)11-30-4-6-31(7-5-30)12-22(33)20-8-19(24(25,26)27)15(9-28)10-29-20/h2-3,8,10,21-22,32-33H,4-7,11-13H2,1H3/t21-,22?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+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