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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 = 'BDBM316006'   
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))
BDBM316006
PNG
(US10172859, Example 429 | US9732094, Example 429 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Show InChI InChI=1S/C25H19ClFN5O2S/c26-19-11-20(27)18(10-17(19)24(33)23-16-3-8-35-25(16)31-13-30-23)22-15-2-1-14(9-21(15)28-12-29-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
PDB
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
<1.00E+4n/an/an/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...


US Patent US9732094 (2017)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM316006
PNG
(US10172859, Example 429 | US9732094, Example 429 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Show InChI InChI=1S/C25H19ClFN5O2S/c26-19-11-20(27)18(10-17(19)24(33)23-16-3-8-35-25(16)31-13-30-23)22-15-2-1-14(9-21(15)28-12-29-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
<1.00E+4n/an/an/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...


US Patent US10172859 (2019)


Article DOI: 10.1016/j.bmc.2008.10.070
More data for this
Ligand-Target Pair