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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 = 'BDBM315668'   
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))
BDBM315668
PNG
(6-{[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinaz...)
Show SMILES CCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23ClFN5O3/c1-2-32-23(33)6-5-21(30-32)25(34)17-12-18(20(27)13-19(17)26)24-16-4-3-15(11-22(16)28-14-29-24)31-7-9-35-10-8-31/h3-6,11-14,25,34H,2,7-10H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315668
PNG
(6-{[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinaz...)
Show SMILES CCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23ClFN5O3/c1-2-32-23(33)6-5-21(30-32)25(34)17-12-18(20(27)13-19(17)26)24-16-4-3-15(11-22(16)28-14-29-24)31-7-9-35-10-8-31/h3-6,11-14,25,34H,2,7-10H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315668
PNG
(6-{[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinaz...)
Show SMILES CCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23ClFN5O3/c1-2-32-23(33)6-5-21(30-32)25(34)17-12-18(20(27)13-19(17)26)24-16-4-3-15(11-22(16)28-14-29-24)31-7-9-35-10-8-31/h3-6,11-14,25,34H,2,7-10H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315668
PNG
(6-{[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinaz...)
Show SMILES CCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23ClFN5O3/c1-2-32-23(33)6-5-21(30-32)25(34)17-12-18(20(27)13-19(17)26)24-16-4-3-15(11-22(16)28-14-29-24)31-7-9-35-10-8-31/h3-6,11-14,25,34H,2,7-10H2,1H3
PDB
MMDB

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GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315668
PNG
(6-{[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinaz...)
Show SMILES CCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23ClFN5O3/c1-2-32-23(33)6-5-21(30-32)25(34)17-12-18(20(27)13-19(17)26)24-16-4-3-15(11-22(16)28-14-29-24)31-7-9-35-10-8-31/h3-6,11-14,25,34H,2,7-10H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315668
PNG
(6-{[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinaz...)
Show SMILES CCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23ClFN5O3/c1-2-32-23(33)6-5-21(30-32)25(34)17-12-18(20(27)13-19(17)26)24-16-4-3-15(11-22(16)28-14-29-24)31-7-9-35-10-8-31/h3-6,11-14,25,34H,2,7-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair