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BDBM315582 (6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-(7-morpholin-4-yl- quinazolin-4-yl)phenyl- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.10 (s, 1H), 7.88 (d, J = 1.0, 1H), 7.63-7.58 (m, 2H), 7.55- 7.47 (m, 2H), 7.42-7.35 (m, 1H), 7.20 (d, J = 2.3, 1H), 6.46 (d, J = 4.3, 1H), 5.85-5.82 (m, 1H), 4.00 (s, 3H), 3.81-3.74 (m, 4H), 3.48-3.41 (m, 4H)::US10172859, Example 286::US10172859, Example 9::US9732094, Example 286

SMILES: COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=PBEWANFAIGVJRA-UHFFFAOYSA-N

Data: 4 KI  4 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 8 hits for monomerid = 315582   
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))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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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
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))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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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))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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PC cid
PC sid
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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)

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


(Homo sapiens (Human))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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PC cid
PC sid
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US Patent
>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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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 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))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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))
BDBM315582
PNG
((6-Chloro-5-methoxy- pyridazin-3-yl)-[4-fluoro- 3-...)
Show SMILES COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-18(12-21(25)29-30-24)23(32)14-2-5-19(26)17(10-14)22-16-4-3-15(11-20(16)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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