BDBM315676 2-(6-{[2-Chloro-4- fluoro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]hydroxy- methyl}pyridazin-3- yloxy)propionitrile1H NMR (500 MHz, DMSO-d6) ppm = 9.12 (d,J = 2.7, 1H), 7.93 (dd, J = 11.2, 7.7, 1H), 7.84 (dd,J = 16.3, 9.2, 1H), 7.70-7.65 (m, 1H), 7.63-7.57 (m, 1H), 7.57-7.51 (m, 1H), 7.38 (dd,J = 9.1, 3.5, 1H), 7.21 (d, J = 2.4, 1H), 6.71 (dd,J = 10.3, 5.0, 1H), 6.28 (dd, J = 9.5, 5.0, 1H), 5.95-5.87 (m, 1H), 3.81-3.74 (m, 4H), 3.48-3.42(m, 4H), 1.76-1.70 (m, 3H)::US10172859, Example 101::US10172859, Example 102::US10172859, Example 103::US10172859, Example 104::US11065253, Example 104::US9732094, Example 104

SMILES CC(Oc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)C#N

InChI Key InChIKey=JEOIEFCSPPXNAG-UHFFFAOYSA-N

Data  8 KI  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 315676   

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 3nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 18.5nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 3nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 3nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 19nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 30nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 3nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 3nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 18.5nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetDNA-dependent protein kinase catalytic subunit(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataIC50: 3nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataKi:  1.25E+4nMAssay Description:The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataKi:  1.25E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataKi:  2.00E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataKi:  2.00E+4nMAssay Description:The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataKi:  2.00E+4nMAssay Description:The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataKi:  2.00E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataKi: >2.50E+4nMAssay Description:The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Patent

US Patent
LigandPNGBDBM315676(US10172859, Example 102 | US10172859, Example 103 ...)
Affinity DataKi: >2.50E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent