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BDBM315777 4-[5-(Difluoro- methoxy-thiazol-2- ylmethyl)-2-fluoro- phenyl]-7- morpholin-4-yl- quinazoline1H NMR (400 MHz, DMSO-d6) ppm = 9.11 (s,1H), 7.85 (d, J = 3.2, 1H), 7.81 (d, J = 3.2, 1H),7.73-7.71 (m, 2H), 7.55-7.52 (m, 2H), 7.52-7.48 (m, 1H), 7.22-6.82 (m, 3H), 3.80-3.75(m, 4H), 3.48-3.42 (m, 4H)::US10172859, Example 199::US9732094, Example 199

SMILES: FC(F)OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=OALIVDXCYALUSU-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 = 315777   
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))
BDBM315777
PNG
(4-[5-(Difluoro- methoxy-thiazol-2- ylmethyl)-2-flu...)
Show SMILES FC(F)OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H19F3N4O2S/c24-18-4-1-14(21(32-23(25)26)22-27-5-10-33-22)11-17(18)20-16-3-2-15(12-19(16)28-13-29-20)30-6-8-31-9-7-30/h1-5,10-13,21,23H,6-9H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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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
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315777
PNG
(4-[5-(Difluoro- methoxy-thiazol-2- ylmethyl)-2-flu...)
Show SMILES FC(F)OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H19F3N4O2S/c24-18-4-1-14(21(32-23(25)26)22-27-5-10-33-22)11-17(18)20-16-3-2-15(12-19(16)28-13-29-20)30-6-8-31-9-7-30/h1-5,10-13,21,23H,6-9H2
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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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315777
PNG
(4-[5-(Difluoro- methoxy-thiazol-2- ylmethyl)-2-flu...)
Show SMILES FC(F)OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H19F3N4O2S/c24-18-4-1-14(21(32-23(25)26)22-27-5-10-33-22)11-17(18)20-16-3-2-15(12-19(16)28-13-29-20)30-6-8-31-9-7-30/h1-5,10-13,21,23H,6-9H2
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
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315777
PNG
(4-[5-(Difluoro- methoxy-thiazol-2- ylmethyl)-2-flu...)
Show SMILES FC(F)OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H19F3N4O2S/c24-18-4-1-14(21(32-23(25)26)22-27-5-10-33-22)11-17(18)20-16-3-2-15(12-19(16)28-13-29-20)30-6-8-31-9-7-30/h1-5,10-13,21,23H,6-9H2
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
More data for this
Ligand-Target Pair