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BDBM315668 6-{[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinazolin-4-yl)phenyl]- hydroxymethyl}-2-ethyl- 2H-pyridazin-3-one1H NMR (500 MHz, DMSO-d6) ppm = 9.13 (s, 1H),7.94 (d, J = 7.7, 1H), 7.68 (d, J = 9.5, 1H), 7.59-7.52(m, 2H), 7.46 (d, J = 9.6, 1H), 7.22 (d, J = 2.3, 1H),6.92 (d, J = 9.6, 1H), 6.61 (d, J = 4.8, 1H), 5.90 (d,J = 4.8, 1H), 4.08-3.95 (m, 2H), 3.81-3.74 (m, 4H),3.49-3.41 (m, 4H), 1.20 (t, J = 7.2, 3H)::US10172859, Example 93::US10172859, Example 96::US10172859, Example 97::US9732094, Example 97

SMILES: CCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=ROTFCYSSIJCDLR-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 = 315668   
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))
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
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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)

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
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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)

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
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>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
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>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
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>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
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>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
DNA-dependent protein kinase


(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
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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)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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
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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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
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n/an/a 19n/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)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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
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n/an/a 18.5n/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)

More data for this
Ligand-Target Pair