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BDBM315872 2-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-2-pyrrolo- [2,1-f][1,2,4]triazin-4- ylacetamide::US10172859, Example 299::US9732094, Example 299

SMILES: NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12

InChI Key: InChIKey=ZMIMJRGRWXTILZ-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 = 315872   
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))
BDBM315872
PNG
(2-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H22FN7O2/c27-20-6-3-16(23(26(28)35)25-22-2-1-7-34(22)32-15-31-25)12-19(20)24-18-5-4-17(13-21(18)29-14-30-24)33-8-10-36-11-9-33/h1-7,12-15,23H,8-11H2,(H2,28,35)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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))
BDBM315872
PNG
(2-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H22FN7O2/c27-20-6-3-16(23(26(28)35)25-22-2-1-7-34(22)32-15-31-25)12-19(20)24-18-5-4-17(13-21(18)29-14-30-24)33-8-10-36-11-9-33/h1-7,12-15,23H,8-11H2,(H2,28,35)
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MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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))
BDBM315872
PNG
(2-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H22FN7O2/c27-20-6-3-16(23(26(28)35)25-22-2-1-7-34(22)32-15-31-25)12-19(20)24-18-5-4-17(13-21(18)29-14-30-24)33-8-10-36-11-9-33/h1-7,12-15,23H,8-11H2,(H2,28,35)
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 19n/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))
BDBM315872
PNG
(2-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H22FN7O2/c27-20-6-3-16(23(26(28)35)25-22-2-1-7-34(22)32-15-31-25)12-19(20)24-18-5-4-17(13-21(18)29-14-30-24)33-8-10-36-11-9-33/h1-7,12-15,23H,8-11H2,(H2,28,35)
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 18.5n/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