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BDBM50328450 4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)-butan-1-one::CHEMBL1258037

SMILES: Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1

InChI Key: InChIKey=YJHBORBWSSPLGN-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50328450   
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))
BDBM50328450
PNG
(4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluo...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
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PC sid
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13n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50328450
PNG
(4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluo...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50328450
PNG
(4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluo...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
76n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50328450
PNG
(4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluo...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
210n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in pig striatal membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50328450
PNG
(4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluo...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
850n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair