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BDBM315904 US10172859, Example 328::US9732094, Example 328::[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]furo[2,3-c]- pyridin-7-ylmethanol1H NMR (500 MHz, DMSO-d6) ppm = 9.08 (s,1H), 8.32 (d, J = 5.2, 1H), 8.21 (d, J = 2.2, 1H), 7.74-7.67 (m, 2H), 7.64 (d, J = 5.2, 1H), 7.52-7.49 (m,2H), 7.36 (dd, J = 9.9, 8.4, 1H), 7.22-7.16 (m, 1H),7.06 (d, J = 2.2, 1H), 6.32 (d, J = 5.0, 1H), 6.25 (d,J = 5.0, 1H), 3.80-3.75 (m, 4H), 3.46-3.41 (m,4H).

SMILES: OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccc2ccoc12

InChI Key: InChIKey=XGIZNDWBXPNXFQ-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 = 315904   
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))
BDBM315904
PNG
(US10172859, Example 328 | US9732094, Example 328 |...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccc2ccoc12
Show InChI InChI=1S/C26H21FN4O3/c27-21-4-1-17(25(32)24-26-16(5-7-28-24)6-10-34-26)13-20(21)23-19-3-2-18(14-22(19)29-15-30-23)31-8-11-33-12-9-31/h1-7,10,13-15,25,32H,8-9,11-12H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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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))
BDBM315904
PNG
(US10172859, Example 328 | US9732094, Example 328 |...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccc2ccoc12
Show InChI InChI=1S/C26H21FN4O3/c27-21-4-1-17(25(32)24-26-16(5-7-28-24)6-10-34-26)13-20(21)23-19-3-2-18(14-22(19)29-15-30-23)31-8-11-33-12-9-31/h1-7,10,13-15,25,32H,8-9,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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))
BDBM315904
PNG
(US10172859, Example 328 | US9732094, Example 328 |...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccc2ccoc12
Show InChI InChI=1S/C26H21FN4O3/c27-21-4-1-17(25(32)24-26-16(5-7-28-24)6-10-34-26)13-20(21)23-19-3-2-18(14-22(19)29-15-30-23)31-8-11-33-12-9-31/h1-7,10,13-15,25,32H,8-9,11-12H2
PDB

KEGG

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))
BDBM315904
PNG
(US10172859, Example 328 | US9732094, Example 328 |...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccc2ccoc12
Show InChI InChI=1S/C26H21FN4O3/c27-21-4-1-17(25(32)24-26-16(5-7-28-24)6-10-34-26)13-20(21)23-19-3-2-18(14-22(19)29-15-30-23)31-8-11-33-12-9-31/h1-7,10,13-15,25,32H,8-9,11-12H2
PDB

KEGG

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