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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 = 'BDBM50193857'   
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))
BDBM50193857
PNG
(1-({4-[4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)...)
Show SMILES OC(=O)C1CCCN(C1)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H23Cl2N5O4/c27-18-7-9-21(20(12-18)25(35)32-22-10-8-19(28)13-30-22)31-24(34)16-5-3-15(4-6-16)23(29)33-11-1-2-17(14-33)26(36)37/h3-10,12-13,17,29H,1-2,11,14H2,(H,31,34)(H,36,37)(H,30,32,35)
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PC cid
PC sid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human Erg


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193857
PNG
(1-({4-[4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)...)
Show SMILES OC(=O)C1CCCN(C1)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H23Cl2N5O4/c27-18-7-9-21(20(12-18)25(35)32-22-10-8-19(28)13-30-22)31-24(34)16-5-3-15(4-6-16)23(29)33-11-1-2-17(14-33)26(36)37/h3-10,12-13,17,29H,1-2,11,14H2,(H,31,34)(H,36,37)(H,30,32,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5507-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.039
BindingDB Entry DOI: 10.7270/Q2SF2X05
More data for this
Ligand-Target Pair