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BDBM315696 US10172859, Example 120::US9732094, Example 120::[2,4-Difluoro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-(4- methoxyphenyl)- methanol1H NMR (400 MHz, DMSO-d6) ppm = 9.09 (s,1H), 7.61-7.47 (m, 3H), 7.36-7.30 (m, 2H),7.27 (t, J = 9.1, 1H), 7.20 (d, J = 2.3, 1H), 6.93-6.87 (m, 2H), 6.18 (d, J = 4.6, 1H), 6.14 (d,J = 4.6, 1H), 3.81-3.75 (m, 4H), 3.73 (s, 3H),3.48-3.41 (m, 4H)

SMILES: COc1ccc(cc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=IZHMEJPZUSRPSC-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 = 315696   
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))
BDBM315696
PNG
(US10172859, Example 120 | US9732094, Example 120 |...)
Show SMILES COc1ccc(cc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23F2N3O3/c1-33-18-5-2-16(3-6-18)26(32)21-13-20(22(27)14-23(21)28)25-19-7-4-17(12-24(19)29-15-30-25)31-8-10-34-11-9-31/h2-7,12-15,26,32H,8-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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))
BDBM315696
PNG
(US10172859, Example 120 | US9732094, Example 120 |...)
Show SMILES COc1ccc(cc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23F2N3O3/c1-33-18-5-2-16(3-6-18)26(32)21-13-20(22(27)14-23(21)28)25-19-7-4-17(12-24(19)29-15-30-25)31-8-10-34-11-9-31/h2-7,12-15,26,32H,8-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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))
BDBM315696
PNG
(US10172859, Example 120 | US9732094, Example 120 |...)
Show SMILES COc1ccc(cc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23F2N3O3/c1-33-18-5-2-16(3-6-18)26(32)21-13-20(22(27)14-23(21)28)25-19-7-4-17(12-24(19)29-15-30-25)31-8-10-34-11-9-31/h2-7,12-15,26,32H,8-11H2,1H3
PDB

KEGG

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))
BDBM315696
PNG
(US10172859, Example 120 | US9732094, Example 120 |...)
Show SMILES COc1ccc(cc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23F2N3O3/c1-33-18-5-2-16(3-6-18)26(32)21-13-20(22(27)14-23(21)28)25-19-7-4-17(12-24(19)29-15-30-25)31-8-10-34-11-9-31/h2-7,12-15,26,32H,8-11H2,1H3
PDB

KEGG

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