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BDBM186937 US9079895, 25s

SMILES: COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1

InChI Key: InChIKey=ROKNCKQMECSPFV-NRFANRHFSA-N

Data: 12 KI

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 12 hits for monomerid = 186937   
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
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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174n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B (5HT2B)


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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658n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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1.40E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D (5HT1D)


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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1.98E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
Dopamine D4 receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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3.36E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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3.76E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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6.45E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
Dopamine D3 receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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8.29E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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8.35E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
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8.37E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
UniProtKB/SwissProt

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UniChem

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8.53E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
UniProtKB/SwissProt

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Similars

1.00E+4n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair