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BDBM315937 US10172859, Example 361::US9732094, Example 361::[2-Chloro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]pyrrolo[1,2-a]- pyrazin-1-ylmethanol1H NMR (500 MHz, DMSO-d6) ppm = 9.08 (s,1H), 8.22-8.19 (m, 1H), 8.14 (d, J = 2.2, 1H), 7.89(d, J = 9.4, 1H), 7.76 (dd, J = 2.5, 1.3, 1H), 7.70 (dd,J = 8.2, 2.2, 1H), 7.61 (d, J = 8.2, 1H), 7.53 (dd,J = 9.5, 2.6, 1H). 7.43 (d, J = 4.8, 1H), 7.21 (d,J = 2.6, 1H), 7.00-6.97 (m, 1H), 6.93-6.90 (m,1H), 6.45-6.40 (m, 2H), 3.81-3.76 (m, 4H),3.48-3.42 (m, 4H).

SMILES: OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12

InChI Key: InChIKey=MAVRQQXHKQFAMV-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 = 315937   
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))
BDBM315937
PNG
(US10172859, Example 361 | US9732094, Example 361 |...)
Show SMILES OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22ClN5O2/c27-21-6-3-17(14-20(21)26(33)25-23-2-1-8-32(23)9-7-28-25)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
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MMDB

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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))
BDBM315937
PNG
(US10172859, Example 361 | US9732094, Example 361 |...)
Show SMILES OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22ClN5O2/c27-21-6-3-17(14-20(21)26(33)25-23-2-1-8-32(23)9-7-28-25)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
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))
BDBM315937
PNG
(US10172859, Example 361 | US9732094, Example 361 |...)
Show SMILES OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22ClN5O2/c27-21-6-3-17(14-20(21)26(33)25-23-2-1-8-32(23)9-7-28-25)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 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 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))
BDBM315937
PNG
(US10172859, Example 361 | US9732094, Example 361 |...)
Show SMILES OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H22ClN5O2/c27-21-6-3-17(14-20(21)26(33)25-23-2-1-8-32(23)9-7-28-25)24-19-5-4-18(15-22(19)29-16-30-24)31-10-12-34-13-11-31/h1-9,14-16,26,33H,10-13H2
PDB

KEGG

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