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BDBM50275281 CHEMBL487360::cis-1-(4-(3-methoxyphenyl)cyclohexyl)-4-(naphthalen-1-yl)piperazine

SMILES: COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12

InChI Key: InChIKey=RBBSEEBITXSZAO-PEPAQOBHSA-N

Data: 4 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 4 hits for monomerid = 50275281   
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
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
Show InChI InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3/t21-,24+
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17n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
Show InChI InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3/t21-,24+
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74n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
Show InChI InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3/t21-,24+
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240n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
Show InChI InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3/t21-,24+
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1.31E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair