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BDBM315759 US10172859, Example 180::US10172859, Example 188::US10172859, Example 189::US9732094, Example 189::[6-Fluoro-5-(7- morpholin-4-yl- quinazolin-4-yl)- pyridin-3-yl]thiazol- 2-ylmethanol1H NMR (400 MHz, DMSO-d6) ppm = 9.11 (s,1H), 8.56-8.52 (m, 1H), 8.21 (dd, J = 9.0, 2.3,1H), 7.77 (d, J = 3.2, 1H), 7.69 (d, J = 3.2, 1H),7.59-7.52 (m, 2H), 7.23-7.20 (m, 1H), 7.18(d, J = 4.7, 1H), 6.23 (d, J = 4.5, 1H), 3.82-3.73(m, 4H), 3.50-3.42 (m, 4H)

SMILES: OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=HORBNTVKYAVYTP-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 = 315759   
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))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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<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)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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<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)


Article DOI: 10.1016/j.bmc.2008.10.070
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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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
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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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
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
PDB
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PC sid
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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)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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PC sid
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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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315759
PNG
(US10172859, Example 180 | US10172859, Example 188 ...)
Show SMILES OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O2S/c22-20-16(9-13(11-24-20)19(28)21-23-3-8-30-21)18-15-2-1-14(10-17(15)25-12-26-18)27-4-6-29-7-5-27/h1-3,8-12,19,28H,4-7H2
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
More data for this
Ligand-Target Pair