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BDBM315932 US10172859, Example 356::US9732094, Example 356::[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]pyrrolo[1,2-a]- pyrazin-1-ylmethanol1H NMR (500 MHz, DMSO-d6) ppm = 9.10 (s,1H), 8.20 (dd, J = 4.8, 1.0, 1H), 7.79-7.72 (m, 3H),7.53-7.45 (m, 3H), 7.40-7.34 (m, 1H), 7.20 (d,J = 2.1, 1H), 7.02 (dt, J = 4.1, 1.2, 1H), 6.87 (dd,J = 4.1, 2.5, 1H), 6.33 (d, J = 4.9, 1H), 6.06 (d,J = 4.8, 1H), 3.82-3.76 (m, 4H), 3.48-3.42 (m,4H).

SMILES: OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12

InChI Key: InChIKey=KEDFGJHVFDJAQW-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 315932   
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))
BDBM315932
PNG
(US10172859, Example 356 | US9732094, Example 356 |...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22FN5O2/c27-21-6-3-17(26(33)25-23-2-1-8-32(23)9-7-28-25)14-20(21)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
PDB
MMDB

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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)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315932
PNG
(US10172859, Example 356 | US9732094, Example 356 |...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22FN5O2/c27-21-6-3-17(26(33)25-23-2-1-8-32(23)9-7-28-25)14-20(21)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
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PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315932
PNG
(US10172859, Example 356 | US9732094, Example 356 |...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22FN5O2/c27-21-6-3-17(26(33)25-23-2-1-8-32(23)9-7-28-25)14-20(21)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
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
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315932
PNG
(US10172859, Example 356 | US9732094, Example 356 |...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22FN5O2/c27-21-6-3-17(26(33)25-23-2-1-8-32(23)9-7-28-25)14-20(21)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
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
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair