BindingDB logo
myBDB logout

BDBM315675 US10172859, Example 100::US9732094, Example 100::[2-Chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol

SMILES: OC(c1ccc(OC2COC2)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=SRYMLVUNMNZEHF-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 = 315675   
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))
BDBM315675
PNG
(US10172859, Example 100 | US9732094, Example 100 |...)
Show SMILES OC(c1ccc(OC2COC2)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23ClFN5O4/c27-20-11-21(28)19(10-18(20)26(34)22-3-4-24(32-31-22)37-16-12-36-13-16)25-17-2-1-15(9-23(17)29-14-30-25)33-5-7-35-8-6-33/h1-4,9-11,14,16,26,34H,5-8,12-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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))
BDBM315675
PNG
(US10172859, Example 100 | US9732094, Example 100 |...)
Show SMILES OC(c1ccc(OC2COC2)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23ClFN5O4/c27-20-11-21(28)19(10-18(20)26(34)22-3-4-24(32-31-22)37-16-12-36-13-16)25-17-2-1-15(9-23(17)29-14-30-25)33-5-7-35-8-6-33/h1-4,9-11,14,16,26,34H,5-8,12-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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
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))
BDBM315675
PNG
(US10172859, Example 100 | US9732094, Example 100 |...)
Show SMILES OC(c1ccc(OC2COC2)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23ClFN5O4/c27-20-11-21(28)19(10-18(20)26(34)22-3-4-24(32-31-22)37-16-12-36-13-16)25-17-2-1-15(9-23(17)29-14-30-25)33-5-7-35-8-6-33/h1-4,9-11,14,16,26,34H,5-8,12-13H2
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))
BDBM315675
PNG
(US10172859, Example 100 | US9732094, Example 100 |...)
Show SMILES OC(c1ccc(OC2COC2)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23ClFN5O4/c27-20-11-21(28)19(10-18(20)26(34)22-3-4-24(32-31-22)37-16-12-36-13-16)25-17-2-1-15(9-23(17)29-14-30-25)33-5-7-35-8-6-33/h1-4,9-11,14,16,26,34H,5-8,12-13H2
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