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BDBM50262883 8-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone trifluoroacetate::CHEMBL477152

SMILES: COc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O

InChI Key: InChIKey=PIVGGMBOWQDOKF-UHFFFAOYSA-N

Data: 1 KI  3 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 = 50262883   
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))
BDBM50262883
PNG
(8-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-20(7-5-8-21(22)28-2)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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PC sid
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1.20n/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))
BDBM50262883
PNG
(8-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-20(7-5-8-21(22)28-2)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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MMDB

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n/an/a 1.00E+4n/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))
BDBM50262883
PNG
(8-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-20(7-5-8-21(22)28-2)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262883
PNG
(8-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-20(7-5-8-21(22)28-2)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair