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BDBM50151272 CHEMBL3769930

SMILES: C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=SMEIMTHKRVPONN-UHFFFAOYNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50151272   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151272
PNG
(CHEMBL3769930)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.741n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151272
PNG
(CHEMBL3769930)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair