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BDBM50131929 CHEMBL123952::{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-(2-naphthalen-2-yl-oxazol-4-ylmethyl)-amine

SMILES: COc1ccccc1N1CCN(CCNCc2coc(n2)-c2ccc3ccccc3c2)CC1

InChI Key: InChIKey=XISSXEYXFUJWDA-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50131929   
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


(Rattus norvegicus (rat))
BDBM50131929
PNG
(CHEMBL123952 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNCc2coc(n2)-c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-9-5-4-8-25(26)31-16-14-30(15-17-31)13-12-28-19-24-20-33-27(29-24)23-11-10-21-6-2-3-7-22(21)18-23/h2-11,18,20,28H,12-17,19H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum Dopamine receptor D2 by [3H]spiperone displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50131929
PNG
(CHEMBL123952 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNCc2coc(n2)-c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-9-5-4-8-25(26)31-16-14-30(15-17-31)13-12-28-19-24-20-33-27(29-24)23-11-10-21-6-2-3-7-22(21)18-23/h2-11,18,20,28H,12-17,19H2,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
295n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50131929
PNG
(CHEMBL123952 | {2-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNCc2coc(n2)-c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-9-5-4-8-25(26)31-16-14-30(15-17-31)13-12-28-19-24-20-33-27(29-24)23-11-10-21-6-2-3-7-22(21)18-23/h2-11,18,20,28H,12-17,19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair