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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM316031'   
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))
BDBM316031
PNG
(US10172859, Example 453 | US10172859, Example 454 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)21-15-3-2-14(10-20(15)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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PC cid
PC sid
UniChem
Article
US Patent
1.25E+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
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM316031
PNG
(US10172859, Example 453 | US10172859, Example 454 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)21-15-3-2-14(10-20(15)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.25E+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
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM316031
PNG
(US10172859, Example 453 | US10172859, Example 454 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)21-15-3-2-14(10-20(15)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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PC cid
PC sid
UniChem
Article
US Patent
>2.50E+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
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM316031
PNG
(US10172859, Example 453 | US10172859, Example 454 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)21-15-3-2-14(10-20(15)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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PC sid
UniChem
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US Patent
>2.50E+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
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM316031
PNG
(US10172859, Example 453 | US10172859, Example 454 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)21-15-3-2-14(10-20(15)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
PDB
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PC cid
PC sid
UniChem
Article
US Patent
>2.50E+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
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM316031
PNG
(US10172859, Example 453 | US10172859, Example 454 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)21-15-3-2-14(10-20(15)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
>2.50E+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
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair