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BDBM315760 US10172859, Example 181::US9732094, Example 181::[2-Chloro-4-fluoro- 5-(7-morpholin-4-yl- quinazolin-4-yl)- phenyl]-(4-methyl- thiazol-2-yl)- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.10 (s,1H), 7.73 (dd, J = 10.5, 8.6, 2H), 7.57-7.51 (m,2H), 7.22-7.18 (m, 2H), 6.97 (s, 1H), 6.26 (s,1H), 3.80-3.74 (m, 4H), 3.49-3.41 (m, 4H),2.30 (d, J = 1.0, 3H)

SMILES: Cc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=ZNMXTDAANBXETP-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 = 315760   
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))
BDBM315760
PNG
(US10172859, Example 181 | US9732094, Example 181 |...)
Show SMILES Cc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O2S/c1-13-11-32-23(28-13)22(30)16-9-17(19(25)10-18(16)24)21-15-3-2-14(8-20(15)26-12-27-21)29-4-6-31-7-5-29/h2-3,8-12,22,30H,4-7H2,1H3
PDB
MMDB

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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
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))
BDBM315760
PNG
(US10172859, Example 181 | US9732094, Example 181 |...)
Show SMILES Cc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O2S/c1-13-11-32-23(28-13)22(30)16-9-17(19(25)10-18(16)24)21-15-3-2-14(8-20(15)26-12-27-21)29-4-6-31-7-5-29/h2-3,8-12,22,30H,4-7H2,1H3
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))
BDBM315760
PNG
(US10172859, Example 181 | US9732094, Example 181 |...)
Show SMILES Cc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O2S/c1-13-11-32-23(28-13)22(30)16-9-17(19(25)10-18(16)24)21-15-3-2-14(8-20(15)26-12-27-21)29-4-6-31-7-5-29/h2-3,8-12,22,30H,4-7H2,1H3
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))
BDBM315760
PNG
(US10172859, Example 181 | US9732094, Example 181 |...)
Show SMILES Cc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O2S/c1-13-11-32-23(28-13)22(30)16-9-17(19(25)10-18(16)24)21-15-3-2-14(8-20(15)26-12-27-21)29-4-6-31-7-5-29/h2-3,8-12,22,30H,4-7H2,1H3
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