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SMILES: FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1

InChI Key: InChIKey=KFWSEMIBLPIBOC-UHFFFAOYSA-N

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 6 hits for monomerid = 50325748   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
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1n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
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1n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at D3 receptor (unknown origin)


Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
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5.40n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...


Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
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5.40n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...


Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
PDB

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Article
PubMed
58n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
Reactome pathway
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Article
PubMed
68n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair