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BDBM315702 US10172859, Example 126::US10172859, Example 127::US10172859, Example 128::US9732094, Example 128::[2-Chloro-4-fluoro- 5-(6-morpholin-4- ylthieno[3,2-d}- pyrimidin-4-yl)- phenyl]-(6- methoxy- pyridazin-3-yl)- methanol (Ena 2)1H NMR (500 MHz, DMSO-d6) ppm = 8.90 (s,1H), 8.00 (d, J = 7.9, 1H), 7.69 (d, J = 9.2, 1H),7.66 (d, J = 10.0, 1H), 7.22 (d, J = 9.2, 1H), 6.62(d, J = 4.9, 1H), 6.54 (s, 1H), 6.22 (d, J = 4.9,1H), 3.99 (s, 3H), 3.77-3.72 (m, 4H), 3.45-3.39 (m, 4H)

SMILES: COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1

InChI Key: InChIKey=PIPPQGLJMKVPBT-UHFFFAOYSA-N

Data: 6 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 315702   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
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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))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
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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))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
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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))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
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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))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
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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))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
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PC sid
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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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of ...


US Patent US9732094 (2017)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
PDB

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 μg of DNA-PK/protein complex and 100 n...


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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of ...


US Patent US9732094 (2017)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 μg of DNA-PK/protein complex and 100 n...


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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of ...


US Patent US9732094 (2017)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315702
PNG
(US10172859, Example 126 | US10172859, Example 127 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-31-18-3-2-16(27-28-18)21(30)12-8-13(15(24)9-14(12)23)20-22-17(25-11-26-20)10-19(33-22)29-4-6-32-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 μg of DNA-PK/protein complex and 100 n...


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