new BindingDB logo
myBDB logout

BDBM50156958 CHEMBL3792556

SMILES: C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3ccccc3c2)CCO1

InChI Key: InChIKey=ARGJPNQSHHVEBQ-ANBDAQEENA-N

Data: 1 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 2 hits for monomerid = 50156958   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156958
PNG
(CHEMBL3792556)
Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3ccccc3c2)CCO1 |r|
Show InChI InChI=1/C22H23NO2/c1-2-8-21(9-3-1)25-17-22-16-23(12-13-24-22)15-18-10-11-19-6-4-5-7-20(19)14-18/h1-11,14,22H,12-13,15-17H2/t22-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
18n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156958
PNG
(CHEMBL3792556)
Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3ccccc3c2)CCO1 |r|
Show InChI InChI=1/C22H23NO2/c1-2-8-21(9-3-1)25-17-22-16-23(12-13-24-22)15-18-10-11-19-6-4-5-7-20(19)14-18/h1-11,14,22H,12-13,15-17H2/t22-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 64n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair