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BDBM315596 (2-Chloro-5-methoxy- pyridin-3-yl)-[4-fluoro-3- (7-morpholin-4-yl- quinazolin-4-yl)phenyl]- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.09 (s, 1H), 8.28 (d, J = 2.6, 1H), 7.62-7.55 (m, 3H), 7.55- 7.49 (m, 2H), 7.41-7.32 (m, 1H), 7.21-7.18 (m, 1H), 6.16 (d, J = 6.1, 1H), 6.03 (d, J = 6.1, 1H), 3.85 (s, 3H), 3.80-3.75 (m, 4H), 3.47-3.42 (m, 4H)::US10172859, Example 22::US9732094, Example 22

SMILES: COc1cnc(Cl)c(c1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=WXRISZAPVAJOEF-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 = 315596   
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))
BDBM315596
PNG
((2-Chloro-5-methoxy- pyridin-3-yl)-[4-fluoro-3- (7...)
Show SMILES COc1cnc(Cl)c(c1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClFN4O3/c1-33-17-12-20(25(26)28-13-17)24(32)15-2-5-21(27)19(10-15)23-18-4-3-16(11-22(18)29-14-30-23)31-6-8-34-9-7-31/h2-5,10-14,24,32H,6-9H2,1H3
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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))
BDBM315596
PNG
((2-Chloro-5-methoxy- pyridin-3-yl)-[4-fluoro-3- (7...)
Show SMILES COc1cnc(Cl)c(c1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClFN4O3/c1-33-17-12-20(25(26)28-13-17)24(32)15-2-5-21(27)19(10-15)23-18-4-3-16(11-22(18)29-14-30-23)31-6-8-34-9-7-31/h2-5,10-14,24,32H,6-9H2,1H3
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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
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315596
PNG
((2-Chloro-5-methoxy- pyridin-3-yl)-[4-fluoro-3- (7...)
Show SMILES COc1cnc(Cl)c(c1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClFN4O3/c1-33-17-12-20(25(26)28-13-17)24(32)15-2-5-21(27)19(10-15)23-18-4-3-16(11-22(18)29-14-30-23)31-6-8-34-9-7-31/h2-5,10-14,24,32H,6-9H2,1H3
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
BindingDB Entry DOI: 10.7270/Q2J67K1S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315596
PNG
((2-Chloro-5-methoxy- pyridin-3-yl)-[4-fluoro-3- (7...)
Show SMILES COc1cnc(Cl)c(c1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClFN4O3/c1-33-17-12-20(25(26)28-13-17)24(32)15-2-5-21(27)19(10-15)23-18-4-3-16(11-22(18)29-14-30-23)31-6-8-34-9-7-31/h2-5,10-14,24,32H,6-9H2,1H3
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
BindingDB Entry DOI: 10.7270/Q23B626S
More data for this
Ligand-Target Pair