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BDBM315738 2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazolin-4-yl)- phenyl]-1-thiazol-2- ylethanol1H NMR (500 MHz, DMSO-d6) ppm = 9.08 (s,1H), 8.54 (s, 1H), 8.15-8.13 (m, 1H), 7.98-7.95 (m, 1H), 7.94 (d, J = 3.3, 1H), 7.87 (d,J = 3.2, 1H), 7.83-7.79 (m, 2H), 7.67 (t, J = 7.8,1H), 7.53 (dd, J = 9.5, 2.6, 1H), 7.21 (d, J = 2.6,1H), 3.80-3.76 (m, 4H), 3.47-3.43 (m, 4H)::US10172859, Example 159::US10172859, Example 172::US10172859, Example 173::US9732094, Example 173

SMILES: OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F

InChI Key: InChIKey=QOLLQIBBKMYYHN-UHFFFAOYSA-N

Data: 4 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 10 hits for monomerid = 315738   
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))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
PDB
MMDB

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US Patent
<1.00E+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)

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


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
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US Patent
<1.00E+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)

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


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
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PC sid
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US Patent
<1.00E+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)

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


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
PDB
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PC sid
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US Patent
<1.00E+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)

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


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
PDB

KEGG

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))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
PDB

KEGG

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))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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