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BDBM315982 US10172859, Example 405::US9732094, Example 405::[2-Fluoro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]thieno[3,2-d}- pyrimidin-4-yl- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.07 (s,1H), 9.04 (s, 1H), 8.49 (d, J = 5.5, 1H), 7.91 (dd,J = 6.9, 2.3, 1H), 7.80 (d, J = 9.4, 1H), 7.79-7.74(m, 1H), 7.63 (d, J = 5.5, 1H), 7.49 (dd, J = 9.5, 2.6,1H), 7.43 (dd, J = 9.9, 8.5, 1H), 7.21-7.15 (m, 2H),6.38 (d, J = 2.1, 1H), 3.83-3.76 (m, 4H), 3.47-3.42 (m, 4H).

SMILES: OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12

InChI Key: InChIKey=BKVDUGPHOXFCIL-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 = 315982   
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))
BDBM315982
PNG
(US10172859, Example 405 | US9732094, Example 405 |...)
Show SMILES OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H20FN5O2S/c26-19-4-1-15(11-18(19)24(32)23-25-20(5-10-34-25)27-13-30-23)22-17-3-2-16(12-21(17)28-14-29-22)31-6-8-33-9-7-31/h1-5,10-14,24,32H,6-9H2
PDB
MMDB

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UniProtKB/SwissProt

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


(Homo sapiens (Human))
BDBM315982
PNG
(US10172859, Example 405 | US9732094, Example 405 |...)
Show SMILES OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H20FN5O2S/c26-19-4-1-15(11-18(19)24(32)23-25-20(5-10-34-25)27-13-30-23)22-17-3-2-16(12-21(17)28-14-29-22)31-6-8-33-9-7-31/h1-5,10-14,24,32H,6-9H2
PDB
MMDB

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


(Homo sapiens (Human))
BDBM315982
PNG
(US10172859, Example 405 | US9732094, Example 405 |...)
Show SMILES OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H20FN5O2S/c26-19-4-1-15(11-18(19)24(32)23-25-20(5-10-34-25)27-13-30-23)22-17-3-2-16(12-21(17)28-14-29-22)31-6-8-33-9-7-31/h1-5,10-14,24,32H,6-9H2
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))
BDBM315982
PNG
(US10172859, Example 405 | US9732094, Example 405 |...)
Show SMILES OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H20FN5O2S/c26-19-4-1-15(11-18(19)24(32)23-25-20(5-10-34-25)27-13-30-23)22-17-3-2-16(12-21(17)28-14-29-22)31-6-8-33-9-7-31/h1-5,10-14,24,32H,6-9H2
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