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BDBM50246241 3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one::CHEMBL487064

SMILES: Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1

InChI Key: InChIKey=NYZWASOCJLRCHC-UHFFFAOYSA-N

Data: 1 KI  4 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50246241   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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PubMed
0.375n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
PDB
MMDB

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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
Reactome pathway
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PC cid
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UniChem

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Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair