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BDBM315971 US10172859, Example 394::US9732094, Example 394::[2-Fluoro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-(3-methoxy- pyrazin-2-yl)- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.08 (s,1H), 8.19 (d, J = 2.7, 1H), 8.17 (d, J = 2.7, 1H), 8.07(dd, J = 8.3, 1H), 7.93 (d, J = 9.4, 1H), 7.73(ddd, J = 8.3, 5.0, 2.4, 1H), 7.57 (dd, J = 9.5, 2.6,1H), 7.33 (dd, J = 10.1, 8.4, 1H), 7.22 (d, J = 2.5,1H), 6.35 (d, J = 6.0, 1H), 6.21 (d, J = 6.0, 1H), 3.98(s, 3H), 3.82-3.76 (m, 4H), 3.46 (dd, J = 5.9, 3.9,4H).

SMILES: COc1nccnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=QDHRMZSLIZGZJU-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 = 315971   
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))
BDBM315971
PNG
(US10172859, Example 394 | US9732094, Example 394 |...)
Show SMILES COc1nccnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
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MMDB

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PC cid
PC sid
UniChem
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))
BDBM315971
PNG
(US10172859, Example 394 | US9732094, Example 394 |...)
Show SMILES COc1nccnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315971
PNG
(US10172859, Example 394 | US9732094, Example 394 |...)
Show SMILES COc1nccnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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))
BDBM315971
PNG
(US10172859, Example 394 | US9732094, Example 394 |...)
Show SMILES COc1nccnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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