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BDBM50108654 1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-(hexahydropyridine)]-1-yl]-3-phenylpropane::CHEMBL138458

SMILES: COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1

InChI Key: InChIKey=IJKYJDDNDXAREJ-UHFFFAOYSA-N

Data: 2 KI  12 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 14 hits for monomerid = 50108654   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand.


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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307n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MK 801 binding to NMDA, PCP receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of mepyramine binding to Histamine H1 receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of [125I][MePhe7]-NKB binding to human Tachykinin receptor 3 (NK3)


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to human Tachykinin receptor 2 (NK2)


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of SCH 23390 binding to Dopamine receptor D1


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of idazoxane binding to noradrenaline alpha-2 receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Glycine receptor alpha-4 chain


(Mus musculus)
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MDL 105519 binding to NMDA, glycine receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GR-65630 binding to 5-hydroxytryptamine 3 receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of dopamine reuptake


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of 5-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of [Sar9,Met(O2)11]-SP binding to human Tachykinin receptor 1 (NK1)


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair