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BDBM316056 (3-bromo-pyridin-2- yl)-[4-fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]methanol1H NMR (400 MHz, DMSO-d6) ppm = 9.09 (s,1H), 8.60 (dd, J = 4.6, 1.4, 1H), 8.08 (dd, J = 8.1,1.5, 1H), 7.65-7.59 (m, 2H), 7.54-7.50 (m, 2H),7.41-7.34 (m, 1H), 7.29 (dd, J = 8.1, 4.6, 1H),7.21-7.18 (m, 1H), 6.20 (d, J = 6.3, 1H), 6.12 (d,J = 6.3, 1H), 3.82-3.74 (m, 4H), 3.49-3.40 (m,4H).::US10172859, Example 478::US9732094, Example 478

SMILES: OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Br

InChI Key: InChIKey=AOTYAPLNLRAVPH-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 = 316056   
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))
BDBM316056
PNG
((3-bromo-pyridin-2- yl)-[4-fluoro-3-(7- morpholin-...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Br
Show InChI InChI=1S/C24H20BrFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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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))
BDBM316056
PNG
((3-bromo-pyridin-2- yl)-[4-fluoro-3-(7- morpholin-...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Br
Show InChI InChI=1S/C24H20BrFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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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))
BDBM316056
PNG
((3-bromo-pyridin-2- yl)-[4-fluoro-3-(7- morpholin-...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Br
Show InChI InChI=1S/C24H20BrFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<3n/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))
BDBM316056
PNG
((3-bromo-pyridin-2- yl)-[4-fluoro-3-(7- morpholin-...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Br
Show InChI InChI=1S/C24H20BrFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<3n/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