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BDBM315599 (6-Chloro-3-methoxy- pyrazin-2-yl)-[4-fluoro- 3-(7-morpholin-4-yl- quinazolin-4-yl)phenyl]- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.11 (s, 1H), 8.30 (s, 1H), 7.65-7.60 (m, 2H), 7.57-7.51 (m, 2H), 7.43-7.36 (m, 1H), 7.22-7.19 (m, 1H), 6.18 (s, 1H), 6.06-6.02 (m, 1H), 3.94 (s, 3H), 3.81- 3.75 (m, 4H), 3.47-3.43 (m, 4H)::US10172859, Example 25::US9732094, Example 25

SMILES: COc1ncc(Cl)nc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=YRICZHMWIWNYIX-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 = 315599   
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))
BDBM315599
PNG
((6-Chloro-3-methoxy- pyrazin-2-yl)-[4-fluoro- 3-(7...)
Show SMILES COc1ncc(Cl)nc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-22(30-20(25)12-27-24)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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))
BDBM315599
PNG
((6-Chloro-3-methoxy- pyrazin-2-yl)-[4-fluoro- 3-(7...)
Show SMILES COc1ncc(Cl)nc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-22(30-20(25)12-27-24)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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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
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))
BDBM315599
PNG
((6-Chloro-3-methoxy- pyrazin-2-yl)-[4-fluoro- 3-(7...)
Show SMILES COc1ncc(Cl)nc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-22(30-20(25)12-27-24)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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))
BDBM315599
PNG
((6-Chloro-3-methoxy- pyrazin-2-yl)-[4-fluoro- 3-(7...)
Show SMILES COc1ncc(Cl)nc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-22(30-20(25)12-27-24)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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