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BDBM50331293 7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ol::CHEMBL1289403

SMILES: COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1

InChI Key: InChIKey=NXWYICVCGHHJOR-UHFFFAOYSA-N

Data: 4 KI  1 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 7 hits for monomerid = 50331293   
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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182n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 5365-5372 (2017)


Article DOI: 10.1016/j.bmc.2017.07.059
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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182n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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UniChem
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182n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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706n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 5365-5372 (2017)


Article DOI: 10.1016/j.bmc.2017.07.059
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50331293
PNG
(7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
Show InChI InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3
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n/an/a 360n/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells assessed as inhibition of (S)-glutamate/glycine-stimula...


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair