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BDBM50399881 CHEMBL2180639

SMILES: Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1

InChI Key: InChIKey=YNVKFHIWFDRVNY-UHFFFAOYSA-N

Data: 6 KI  2 IC50  5 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50399881   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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0.490n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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282n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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450n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
PDB

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542n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/an/an/a 5n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) by [35S]-GTPgammaS binding assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/an/an/a 3.60n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/an/an/a 463n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta-arrestin 2 recruitment


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/a 953n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinpirol-induced mitogenesis incubated for 24 hr...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as inhibition of quinpirol-induced mitogenesis incubated for 24 hr...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair