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BDBM315700 US10172859, Example 124::US9732094, Example 124::[2,4-Difluoro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-(2-fluoro- 4-methoxy- phenyl)methanol1H NMR (400 MHz, DMSO-d6) ppm = 9.09 (s,1H), 7.70 (t, J = 8.8, 1H), 7.62-7.44 (m, 3H),7.25 (t, J = 9.2, 1H), 7.20 (d, J = 2.4, 1H), 6.82(dd, J = 8.6, 2.5, 1H), 6.74 (dd, J = 12.6, 2.5,1H), 6.34 (d, J = 4.6, 1H), 6.28 (d, J = 4.6, 1H),3.82-3.71 (m, 7H), 3.49-3.41 (m, 4H)

SMILES: COc1ccc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(F)c1

InChI Key: InChIKey=DRCQLIDBEVYMKC-UHFFFAOYNA-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 = 315700   
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))
BDBM315700
PNG
(US10172859, Example 124 | US9732094, Example 124 |...)
Show SMILES COc1ccc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(F)c1
Show InChI InChI=1/C26H22F3N3O3/c1-34-16-3-5-17(21(27)11-16)26(33)20-12-19(22(28)13-23(20)29)25-18-4-2-15(10-24(18)30-14-31-25)32-6-8-35-9-7-32/h2-5,10-14,26,33H,6-9H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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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
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))
BDBM315700
PNG
(US10172859, Example 124 | US9732094, Example 124 |...)
Show SMILES COc1ccc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(F)c1
Show InChI InChI=1/C26H22F3N3O3/c1-34-16-3-5-17(21(27)11-16)26(33)20-12-19(22(28)13-23(20)29)25-18-4-2-15(10-24(18)30-14-31-25)32-6-8-35-9-7-32/h2-5,10-14,26,33H,6-9H2,1H3
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MMDB

Reactome pathway
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UniProtKB/SwissProt

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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))
BDBM315700
PNG
(US10172859, Example 124 | US9732094, Example 124 |...)
Show SMILES COc1ccc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(F)c1
Show InChI InChI=1/C26H22F3N3O3/c1-34-16-3-5-17(21(27)11-16)26(33)20-12-19(22(28)13-23(20)29)25-18-4-2-15(10-24(18)30-14-31-25)32-6-8-35-9-7-32/h2-5,10-14,26,33H,6-9H2,1H3
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))
BDBM315700
PNG
(US10172859, Example 124 | US9732094, Example 124 |...)
Show SMILES COc1ccc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(F)c1
Show InChI InChI=1/C26H22F3N3O3/c1-34-16-3-5-17(21(27)11-16)26(33)20-12-19(22(28)13-23(20)29)25-18-4-2-15(10-24(18)30-14-31-25)32-6-8-35-9-7-32/h2-5,10-14,26,33H,6-9H2,1H3
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