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BDBM335818 2-[2,4-Difluoro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-2-pyrrolo- [1,2-a]pyrazin-1-yl- acetamide::US9732094, Example 348

SMILES: NC(=O)C(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12

InChI Key: InChIKey=LUQVTTRAGKZSBB-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 335818   
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))
BDBM335818
PNG
(2-[2,4-Difluoro-5-(7- morpholin-4-yl- quinazolin-4...)
Show SMILES NC(=O)C(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C27H22F2N6O2/c28-20-14-21(29)19(13-18(20)24(27(30)36)26-23-2-1-6-35(23)7-5-31-26)25-17-4-3-16(12-22(17)32-15-33-25)34-8-10-37-11-9-34/h1-7,12-15,24H,8-11H2,(H2,30,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM335818
PNG
(2-[2,4-Difluoro-5-(7- morpholin-4-yl- quinazolin-4...)
Show SMILES NC(=O)C(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C27H22F2N6O2/c28-20-14-21(29)19(13-18(20)24(27(30)36)26-23-2-1-6-35(23)7-5-31-26)25-17-4-3-16(12-22(17)32-15-33-25)34-8-10-37-11-9-34/h1-7,12-15,24H,8-11H2,(H2,30,36)
PDB

KEGG

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