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BDBM315882 2-[2-Chloro-4-fluoro- 5-(7-morpholin-4-yl- quinazolin-4-yl)- phenyl]-2-[3H- pyrrolo[2,1-f][1,2,4]- triazin-(4E)-ylidene]- acetamide1H NMR (500 MHz, DMSO-d6) ppm = 13.76 (d,J = 3.9, 1H), 9.07 (s, 1H), 7.86 (d, J = 9.7, 1H), 7.84-7.76 (m, 2H), 7.56 (d, J = 7.8, 1H), 7.51 (dd,J = 9.5, 2.5, 1H), 7.32 (dd, J = 2.7, 1.7, 1H), 7.18 (d,J = 2.4, 1H), 6.99 (s, 1H), 6.37 (s, 1H), 6.26 (dd,J = 4.4, 2.7, 1H), 4.87 (dd, J = 4.4, 1.7, 1H), 3.81-3.74 (m, 4H), 3.49-3.42 (m, 4H).::US10172859, Example 309::US9732094, Example 309

SMILES: NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12

InChI Key: InChIKey=LXBZRTFPUMGGNZ-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 = 315882   
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))
BDBM315882
PNG
(2-[2-Chloro-4-fluoro- 5-(7-morpholin-4-yl- quinazo...)
Show SMILES NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H21ClFN7O2/c27-19-12-20(28)18(11-17(19)23(26(29)36)25-22-2-1-5-35(22)33-14-32-25)24-16-4-3-15(10-21(16)30-13-31-24)34-6-8-37-9-7-34/h1-5,10-14,23H,6-9H2,(H2,29,36)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315882
PNG
(2-[2-Chloro-4-fluoro- 5-(7-morpholin-4-yl- quinazo...)
Show SMILES NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H21ClFN7O2/c27-19-12-20(28)18(11-17(19)23(26(29)36)25-22-2-1-5-35(22)33-14-32-25)24-16-4-3-15(10-21(16)30-13-31-24)34-6-8-37-9-7-34/h1-5,10-14,23H,6-9H2,(H2,29,36)
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MMDB

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PC cid
PC sid
UniChem
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)

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


(Homo sapiens (Human))
BDBM315882
PNG
(2-[2-Chloro-4-fluoro- 5-(7-morpholin-4-yl- quinazo...)
Show SMILES NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H21ClFN7O2/c27-19-12-20(28)18(11-17(19)23(26(29)36)25-22-2-1-5-35(22)33-14-32-25)24-16-4-3-15(10-21(16)30-13-31-24)34-6-8-37-9-7-34/h1-5,10-14,23H,6-9H2,(H2,29,36)
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315882
PNG
(2-[2-Chloro-4-fluoro- 5-(7-morpholin-4-yl- quinazo...)
Show SMILES NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C26H21ClFN7O2/c27-19-12-20(28)18(11-17(19)23(26(29)36)25-22-2-1-5-35(22)33-14-32-25)24-16-4-3-15(10-21(16)30-13-31-24)34-6-8-37-9-7-34/h1-5,10-14,23H,6-9H2,(H2,29,36)
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>30n/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)

More data for this
Ligand-Target Pair