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BDBM50052573 5-Methoxy-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide::CHEMBL26426

SMILES: COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC

InChI Key: InChIKey=CPGVFFIAFKTJQY-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50052573   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50052573
PNG
(5-Methoxy-1,2,3,4-tetrahydro-naphthalene-1-carboxy...)
Show SMILES COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)25(29)26-13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
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Article
22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from human Dopamine receptor D4.2 expressed in baculovirus Sf9 cells


Bioorg Med Chem Lett 7: 1327-1330 (1997)


Article DOI: 10.1016/S0960-894X(97)00218-7
BindingDB Entry DOI: 10.7270/Q2P55NJG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50052573
PNG
(5-Methoxy-1,2,3,4-tetrahydro-naphthalene-1-carboxy...)
Show SMILES COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)25(29)26-13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
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Article
142n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cerebral cortex


Bioorg Med Chem Lett 7: 1327-1330 (1997)


Article DOI: 10.1016/S0960-894X(97)00218-7
BindingDB Entry DOI: 10.7270/Q2P55NJG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50052573
PNG
(5-Methoxy-1,2,3,4-tetrahydro-naphthalene-1-carboxy...)
Show SMILES COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)25(29)26-13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
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Article
150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 of rat corpora striata synaptic membranes


Bioorg Med Chem Lett 7: 1327-1330 (1997)


Article DOI: 10.1016/S0960-894X(97)00218-7
BindingDB Entry DOI: 10.7270/Q2P55NJG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50052573
PNG
(5-Methoxy-1,2,3,4-tetrahydro-naphthalene-1-carboxy...)
Show SMILES COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)25(29)26-13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
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n/an/a 448n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in rat striatal membrane using [3H]spiroperidol as radioligand


J Med Chem 39: 3195-202 (1996)


Article DOI: 10.1021/jm960087s
BindingDB Entry DOI: 10.7270/Q2GM87ZN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052573
PNG
(5-Methoxy-1,2,3,4-tetrahydro-naphthalene-1-carboxy...)
Show SMILES COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)25(29)26-13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity against serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 3195-202 (1996)


Article DOI: 10.1021/jm960087s
BindingDB Entry DOI: 10.7270/Q2GM87ZN
More data for this
Ligand-Target Pair