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BDBM315607 US10172859, Example 33::US9732094, Example 33::[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)phenyl]- pyrazin-2-ylmethanol1H NMR (400 MHz, DMSO-d6) ppm = 9.11 (s, 1H), 8.89 (d, J = 1.5, 1H), 8.59-8.53 (m, 2H), 7.71- 7.65 (m, 2H), 7.57-7.50 (m, 2H), 7.44-7.37 (m, 1H), 7.21-7.19 (m, 1H), 5.94 (s, 1H), 3.81-3.75 (m, 4H), 3.49-3.44 (m, 4H)

SMILES: OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cnccn1

InChI Key: InChIKey=ASBXJSXOJUIGQQ-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 = 315607   
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))
BDBM315607
PNG
(US10172859, Example 33 | US9732094, Example 33 | [...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cnccn1
Show InChI InChI=1S/C23H20FN5O2/c24-19-4-1-15(23(30)21-13-25-5-6-26-21)11-18(19)22-17-3-2-16(12-20(17)27-14-28-22)29-7-9-31-10-8-29/h1-6,11-14,23,30H,7-10H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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
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))
BDBM315607
PNG
(US10172859, Example 33 | US9732094, Example 33 | [...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cnccn1
Show InChI InChI=1S/C23H20FN5O2/c24-19-4-1-15(23(30)21-13-25-5-6-26-21)11-18(19)22-17-3-2-16(12-20(17)27-14-28-22)29-7-9-31-10-8-29/h1-6,11-14,23,30H,7-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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))
BDBM315607
PNG
(US10172859, Example 33 | US9732094, Example 33 | [...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cnccn1
Show InChI InChI=1S/C23H20FN5O2/c24-19-4-1-15(23(30)21-13-25-5-6-26-21)11-18(19)22-17-3-2-16(12-20(17)27-14-28-22)29-7-9-31-10-8-29/h1-6,11-14,23,30H,7-10H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


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))
BDBM315607
PNG
(US10172859, Example 33 | US9732094, Example 33 | [...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cnccn1
Show InChI InChI=1S/C23H20FN5O2/c24-19-4-1-15(23(30)21-13-25-5-6-26-21)11-18(19)22-17-3-2-16(12-20(17)27-14-28-22)29-7-9-31-10-8-29/h1-6,11-14,23,30H,7-10H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair