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BDBM50151254 CHEMBL3769895

SMILES: C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=YIECJFDJCQNWNM-LSFSFQITNA-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 = 50151254   
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))
BDBM50151254
PNG
(CHEMBL3769895)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10n/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))
BDBM50151254
PNG
(CHEMBL3769895)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27+/s2
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