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SMILES: COc1ccc2C(O)CC(CCc2c1)NCCCc1ccccc1

InChI Key: InChIKey=UVSBTRVDVBPUOS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50037708   
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))
BDBM50037708
PNG
(CHEMBL3357783)
Show SMILES COc1ccc2C(O)CC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-24-19-11-12-20-17(14-19)9-10-18(15-21(20)23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,18,21-23H,5,8-10,13,15H2,1H3
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MMDB

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Article
PubMed
16n/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
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50037708
PNG
(CHEMBL3357783)
Show SMILES COc1ccc2C(O)CC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-24-19-11-12-20-17(14-19)9-10-18(15-21(20)23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,18,21-23H,5,8-10,13,15H2,1H3
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antibodypedia
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UniChem

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Article
PubMed
16n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-ifenprodil from GluN1a/GluN2B (unknown origin) expressed in L(tk-) cell membranes after 120 mins by scintillation counting analy...


Eur J Med Chem 157: 397-404 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.003
BindingDB Entry DOI: 10.7270/Q2XG9TTX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037708
PNG
(CHEMBL3357783)
Show SMILES COc1ccc2C(O)CC(CCc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-24-19-11-12-20-17(14-19)9-10-18(15-21(20)23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,18,21-23H,5,8-10,13,15H2,1H3
PDB

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
132n/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