BindingDB logo
myBDB logout

BDBM50421924 CHEMBL544280

SMILES: CC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1

InChI Key: InChIKey=DXWOYQQCOACBBA-NZQKXSOJSA-N

Data: 2 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 2 hits for monomerid = 50421924   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50421924
PNG
(CHEMBL544280)
Show SMILES CC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r|
Show InChI InChI=1S/C24H31N/c1-24(2,3)21-12-8-18(9-13-21)16-25-15-14-23-20(17-25)11-10-19-6-4-5-7-22(19)23/h4-9,12-13,20,23H,10-11,14-17H2,1-3H3/t20-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 288n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421924
PNG
(CHEMBL544280)
Show SMILES CC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r|
Show InChI InChI=1S/C24H31N/c1-24(2,3)21-12-8-18(9-13-21)16-25-15-14-23-20(17-25)11-10-19-6-4-5-7-22(19)23/h4-9,12-13,20,23H,10-11,14-17H2,1-3H3/t20-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 98n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair