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BDBM315609 (3,6-Dichloro-pyrazin-2- yl)-[4-fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)phenyl]- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.10 (s, 1H), 8.63 (s, 1H), 7.68-7.64 (m, 2H), 7.55-7.51 (m, 2H), 7.45-7.40 (m, 1H), 7.20 (d, J = 2.1, 1H), 6.51 (d, J = 5.5, 1H), 6.18 (d, J = 5.5, 1H), 3.81-3.75 (m, 4H), 3.48-3.41 (m, 4H)::US10172859, Example 35::US9732094, Example 35

SMILES: OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nc(Cl)cnc1Cl

InChI Key: InChIKey=XHOQZGNYQBPNLL-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 = 315609   
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))
BDBM315609
PNG
((3,6-Dichloro-pyrazin-2- yl)-[4-fluoro-3-(7- morph...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nc(Cl)cnc1Cl
Show InChI InChI=1S/C23H18Cl2FN5O2/c24-19-11-27-23(25)21(30-19)22(32)13-1-4-17(26)16(9-13)20-15-3-2-14(10-18(15)28-12-29-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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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))
BDBM315609
PNG
((3,6-Dichloro-pyrazin-2- yl)-[4-fluoro-3-(7- morph...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nc(Cl)cnc1Cl
Show InChI InChI=1S/C23H18Cl2FN5O2/c24-19-11-27-23(25)21(30-19)22(32)13-1-4-17(26)16(9-13)20-15-3-2-14(10-18(15)28-12-29-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2
PDB
MMDB

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GoogleScholar
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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))
BDBM315609
PNG
((3,6-Dichloro-pyrazin-2- yl)-[4-fluoro-3-(7- morph...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nc(Cl)cnc1Cl
Show InChI InChI=1S/C23H18Cl2FN5O2/c24-19-11-27-23(25)21(30-19)22(32)13-1-4-17(26)16(9-13)20-15-3-2-14(10-18(15)28-12-29-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315609
PNG
((3,6-Dichloro-pyrazin-2- yl)-[4-fluoro-3-(7- morph...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nc(Cl)cnc1Cl
Show InChI InChI=1S/C23H18Cl2FN5O2/c24-19-11-27-23(25)21(30-19)22(32)13-1-4-17(26)16(9-13)20-15-3-2-14(10-18(15)28-12-29-20)31-5-7-33-8-6-31/h1-4,9-12,22,32H,5-8H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


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