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BDBM315935 US10172859, Example 359::US9732094, Example 359::[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinazolin-4-yl)- phenyl]pyrrolo[1,2-a]- pyrazin-1-ylmethanol1H NMR (500 MHz, DMSO-d6) ppm = 9.12 (s,1H), 8.20 (dd, J = 4.7, 1.0, 1H), 7.97 (d, J = 7.8, 1H),7.76 (dd, J = 2.5, 1.3, 1H), 7.63 (d, J = 9.5, 1H), 7.60(dd, J = 9.4, 3.2, 1H), 7.55 (dd, J = 9.4, 2.6, 1H),7.40 (d, J = 4.8, 1H), 7.21 (d, J = 2.5, 1H), 7.00-6.95 (m, 1H), 6.91 (dd, J = 4.1, 2.5, 1H), 6.48 (d,J = 6.2, 1H), 6.36 (d, J = 6.1, 1H), 3.81-3.75 (m,4H), 3.48-3.43 (m, 4H).

SMILES: OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12

InChI Key: InChIKey=OWORGYHATQJZBK-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 315935   
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))
BDBM315935
PNG
(US10172859, Example 359 | US9732094, Example 359 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
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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)


Article DOI: 10.1016/j.bmc.2008.10.070
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315935
PNG
(US10172859, Example 359 | US9732094, Example 359 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
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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)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315935
PNG
(US10172859, Example 359 | US9732094, Example 359 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315935
PNG
(US10172859, Example 359 | US9732094, Example 359 |...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1016/j.bmc.2008.10.070
More data for this
Ligand-Target Pair