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BDBM315775 US10172859, Example 197::US9732094, Example 197::[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-(1- isopropyl-1H- pyrazol-4-yl)- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.10 (s,1H), 7.64-7.60 (m, 1H), 7.60-7.57 (m, 2H),7.56-7.50 (m, 2H), 7.41-7.35 (m, 1H), 7.28(s, 1H), 7.20 (d, J = 2.2, 1H), 5.76 (s, 2H), 4.42(h, J = 6.6, 1H), 3.80-3.76 (m, 4H), 3.46-3.42(m, 4H), 1.36 (d, J = 6.7, 6H)

SMILES: CC(C)n1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=RWAYQUVHYMUCJE-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 = 315775   
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))
BDBM315775
PNG
(US10172859, Example 197 | US9732094, Example 197 |...)
Show SMILES CC(C)n1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3
PDB
MMDB

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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))
BDBM315775
PNG
(US10172859, Example 197 | US9732094, Example 197 |...)
Show SMILES CC(C)n1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3
PDB
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))
BDBM315775
PNG
(US10172859, Example 197 | US9732094, Example 197 |...)
Show SMILES CC(C)n1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


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))
BDBM315775
PNG
(US10172859, Example 197 | US9732094, Example 197 |...)
Show SMILES CC(C)n1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


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