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BDBM315742 1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-1-thiazol- 2-ylethanol1H NMR (400 MHz, DMSO-d6) ppm = 9.11 (s,1H), 7.82-7.75 (m, 2H), 7.73 (d, J = 3.2, 1H),7.61 (d, J = 3.2, 1H), 7.53-7.50 (m, 2H), 7.41-7.36 (m, 1H), 7.20 (d, J = 1.9, 1H), 6.90 (s, 1H),3.80-3.75 (m, 4H), 3.46-3.41 (m, 4H), 1.95(s, 3H)::US10172859, Example 163::US9732094, Example 163

SMILES: CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=WUOHIOVTQJRGGL-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 = 315742   
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))
BDBM315742
PNG
(1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.25E+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
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315742
PNG
(1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.25E+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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315742
PNG
(1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3
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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315742
PNG
(1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3
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
More data for this
Ligand-Target Pair