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BDBM316006 US10172859, Example 429::US9732094, Example 429::[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinazolin-4-yl)- phenyl]thieno[2,3-d}- pyrimidin-4-yl- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.07 (s,1H), 9.05 (s, 1H), 8.46 (d, J = 5.6, 1H), 7.75 (d,J = 7.6, 1H), 7.72 (d, J = 9.6, 1H), 7.61 (d, J = 5.6,1H), 7.55-7.49 (m, 2H), 7.20 (d, J = 5.0, 1H), 7.19-7.17 (m, 1H), 6.42 (d, J = 5.1, 1H), 3.80-3.75 (m,4H), 3.46-3.42 (m, 4H).

SMILES: OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12

InChI Key: InChIKey=WSXQRVAJDUCHLW-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 = 316006   
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))
BDBM316006
PNG
(US10172859, Example 429 | US9732094, Example 429 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Show InChI InChI=1S/C25H19ClFN5O2S/c26-19-11-20(27)18(10-17(19)24(33)23-16-3-8-35-25(16)31-13-30-23)22-15-2-1-14(9-21(15)28-12-29-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
PDB
MMDB

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PC cid
PC sid
UniChem
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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))
BDBM316006
PNG
(US10172859, Example 429 | US9732094, Example 429 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Show InChI InChI=1S/C25H19ClFN5O2S/c26-19-11-20(27)18(10-17(19)24(33)23-16-3-8-35-25(16)31-13-30-23)22-15-2-1-14(9-21(15)28-12-29-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
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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))
BDBM316006
PNG
(US10172859, Example 429 | US9732094, Example 429 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Show InChI InChI=1S/C25H19ClFN5O2S/c26-19-11-20(27)18(10-17(19)24(33)23-16-3-8-35-25(16)31-13-30-23)22-15-2-1-14(9-21(15)28-12-29-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
PDB

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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))
BDBM316006
PNG
(US10172859, Example 429 | US9732094, Example 429 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Show InChI InChI=1S/C25H19ClFN5O2S/c26-19-11-20(27)18(10-17(19)24(33)23-16-3-8-35-25(16)31-13-30-23)22-15-2-1-14(9-21(15)28-12-29-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
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