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BDBM50262885 6-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone::CHEMBL479252

SMILES: Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1

InChI Key: InChIKey=GTXKLRFKMWCBRL-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 = 50262885   
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))
BDBM50262885
PNG
(6-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-10-5-17(23)15-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
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0.5n/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))
BDBM50262885
PNG
(6-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-10-5-17(23)15-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
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MMDB

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n/an/a 2.50E+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))
BDBM50262885
PNG
(6-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-10-5-17(23)15-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 1.60n/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))
BDBM50262885
PNG
(6-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-10-5-17(23)15-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
PDB
MMDB

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PC sid
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n/an/a 2.50E+3n/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