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SMILES: C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1

InChI Key: InChIKey=MQHGACGPMGUHSJ-HXUWFJFHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50055724   
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))
BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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PubMed
412n/an/an/an/an/an/an/an/a



Division of Warner Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.


J Med Chem 40: 250-9 (1997)


Article DOI: 10.1021/jm960597m
BindingDB Entry DOI: 10.7270/Q28W3CD4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist binding affinity was determined by displacing the [3H]-SCH- in rat striatal Dopamine receptor D1


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a 412n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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Article
n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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Article
n/an/a 704n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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Article
n/an/a 412n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a>6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair