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BDBM50328449 4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-(4-fluorophenyl)-butan-1-one::CHEMBL1258036

SMILES: Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3

InChI Key: InChIKey=FMZYTGKVWBHUEI-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 = 50328449   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50328449
PNG
(4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3
Show InChI InChI=1S/C30H33FN2O/c31-28-15-13-27(14-16-28)30(34)2-1-17-32-18-20-33(21-19-32)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2
UniProtKB/SwissProt

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9.90n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50328449
PNG
(4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3
Show InChI InChI=1S/C30H33FN2O/c31-28-15-13-27(14-16-28)30(34)2-1-17-32-18-20-33(21-19-32)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2
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19n/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))
BDBM50328449
PNG
(4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3
Show InChI InChI=1S/C30H33FN2O/c31-28-15-13-27(14-16-28)30(34)2-1-17-32-18-20-33(21-19-32)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2
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22n/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
5-HT2


(PIG)
BDBM50328449
PNG
(4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3
Show InChI InChI=1S/C30H33FN2O/c31-28-15-13-27(14-16-28)30(34)2-1-17-32-18-20-33(21-19-32)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2
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450n/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
Dopamine D1 receptor


(Sus scrofa)
BDBM50328449
PNG
(4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3
Show InChI InChI=1S/C30H33FN2O/c31-28-15-13-27(14-16-28)30(34)2-1-17-32-18-20-33(21-19-32)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2
KEGG

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PC sid
UniChem
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590n/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