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BDBM316016 US10172859, Example 439::US9732094, Example 439::[2,4-Difluoro-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), 9.05 (s, 1H), 8.47 (d, J = 5.6, 1H), 7.76 (t,J = 8.0, 1H), 7.61 (d, J = 5.6, 1H), 7.54-7.46 (m,3H), 7.21-7.16 (m, 2H), 6.32 (d, J = 4.8, 1H), 3.80-3.74 (m, 4H), 3.46-3.41 (m, 4H).

SMILES: OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12

InChI Key: InChIKey=YGCAKHZAOVAPCB-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 = 316016   
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))
BDBM316016
PNG
(US10172859, Example 439 | US9732094, Example 439 |...)
Show SMILES OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H19F2N5O2S/c26-18-11-19(27)17(24(33)23-25-20(3-8-35-25)28-12-31-23)10-16(18)22-15-2-1-14(9-21(15)29-13-30-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
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
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))
BDBM316016
PNG
(US10172859, Example 439 | US9732094, Example 439 |...)
Show SMILES OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H19F2N5O2S/c26-18-11-19(27)17(24(33)23-25-20(3-8-35-25)28-12-31-23)10-16(18)22-15-2-1-14(9-21(15)29-13-30-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
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))
BDBM316016
PNG
(US10172859, Example 439 | US9732094, Example 439 |...)
Show SMILES OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H19F2N5O2S/c26-18-11-19(27)17(24(33)23-25-20(3-8-35-25)28-12-31-23)10-16(18)22-15-2-1-14(9-21(15)29-13-30-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
PDB

KEGG

UniProtKB/SwissProt

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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM316016
PNG
(US10172859, Example 439 | US9732094, Example 439 |...)
Show SMILES OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H19F2N5O2S/c26-18-11-19(27)17(24(33)23-25-20(3-8-35-25)28-12-31-23)10-16(18)22-15-2-1-14(9-21(15)29-13-30-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
PDB

KEGG

UniProtKB/SwissProt

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 μg of DNA-PK/protein complex and 100 n...


US Patent US10172859 (2019)

More data for this
Ligand-Target Pair