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BDBM315947 US10172859, Example 371::US9732094, Example 371::[2-Chloro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-(9-methyl- 9H-purin-6-yl)- methanol1H NMR (500 MHz, DMSO-d6) ppm = 9.10 (s,1H), 8.90 (s, 1H), 8.59 (s, 1H), 8.38 (d, J = 2.2,1H), 8.12 (d, J = 9.4, 1H), 7.70 (dd, J = 8.8, 2.3, 1H),7.60 (dd, J = 9.5, 2.6, 1H), 7.56 (d, J = 8.2, 1H), 7.23(d, J = 2.6, 1H), 6.71 (d, J = 5.4, 1H), 6.53 (d, J = 5.4,1H), 3.86 (s, 3H), 3.82-3.77 (m, 4H), 3.49-3.45(m, 4H).

SMILES: Cn1cnc2c(ncnc12)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=SLTAVZNCQZTPAE-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 = 315947   
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))
BDBM315947
PNG
(US10172859, Example 371 | US9732094, Example 371 |...)
Show SMILES Cn1cnc2c(ncnc12)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClN7O2/c1-32-14-31-23-22(29-13-30-25(23)32)24(34)18-10-15(2-5-19(18)26)21-17-4-3-16(11-20(17)27-12-28-21)33-6-8-35-9-7-33/h2-5,10-14,24,34H,6-9H2,1H3
PDB
MMDB

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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))
BDBM315947
PNG
(US10172859, Example 371 | US9732094, Example 371 |...)
Show SMILES Cn1cnc2c(ncnc12)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClN7O2/c1-32-14-31-23-22(29-13-30-25(23)32)24(34)18-10-15(2-5-19(18)26)21-17-4-3-16(11-20(17)27-12-28-21)33-6-8-35-9-7-33/h2-5,10-14,24,34H,6-9H2,1H3
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))
BDBM315947
PNG
(US10172859, Example 371 | US9732094, Example 371 |...)
Show SMILES Cn1cnc2c(ncnc12)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClN7O2/c1-32-14-31-23-22(29-13-30-25(23)32)24(34)18-10-15(2-5-19(18)26)21-17-4-3-16(11-20(17)27-12-28-21)33-6-8-35-9-7-33/h2-5,10-14,24,34H,6-9H2,1H3
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/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))
BDBM315947
PNG
(US10172859, Example 371 | US9732094, Example 371 |...)
Show SMILES Cn1cnc2c(ncnc12)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H22ClN7O2/c1-32-14-31-23-22(29-13-30-25(23)32)24(34)18-10-15(2-5-19(18)26)21-17-4-3-16(11-20(17)27-12-28-21)33-6-8-35-9-7-33/h2-5,10-14,24,34H,6-9H2,1H3
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18.5n/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