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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 = 'BDBM315985'   
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))
BDBM315985
PNG
(US10172859, Example 408 | US10172859, Example 409 ...)
Show SMILES COc1cncnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,6-9H2,1H3
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UniProtKB/SwissProt

B.MOAD
DrugBank
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
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))
BDBM315985
PNG
(US10172859, Example 408 | US10172859, Example 409 ...)
Show SMILES COc1cncnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,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))
BDBM315985
PNG
(US10172859, Example 408 | US10172859, Example 409 ...)
Show SMILES COc1cncnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,6-9H2,1H3
PDB
MMDB

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PC sid
UniChem
Article
US Patent
2.00E+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
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315985
PNG
(US10172859, Example 408 | US10172859, Example 409 ...)
Show SMILES COc1cncnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,6-9H2,1H3
PDB
MMDB

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PC sid
UniChem
Article
US Patent
2.00E+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
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315985
PNG
(US10172859, Example 408 | US10172859, Example 409 ...)
Show SMILES COc1cncnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,6-9H2,1H3
PDB
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UniProtKB/SwissProt

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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
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))
BDBM315985
PNG
(US10172859, Example 408 | US10172859, Example 409 ...)
Show SMILES COc1cncnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1/C24H22ClN5O3/c1-32-21-12-26-13-28-23(21)24(31)18-10-15(2-5-19(18)25)22-17-4-3-16(11-20(17)27-14-29-22)30-6-8-33-9-7-30/h2-5,10-14,24,31H,6-9H2,1H3
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
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