new BindingDB logo
myBDB logout

BDBM50156930 CHEMBL3793264

SMILES: COc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1

InChI Key: InChIKey=AUFHMMWSOHFEGS-LGWFVXIRNA-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 = 50156930   
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))
BDBM50156930
PNG
(CHEMBL3793264)
Show SMILES COc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1 |r|
Show InChI InChI=1/C18H22N2O3/c1-21-16-6-4-15(5-7-16)12-20-9-10-22-18(13-20)14-23-17-3-2-8-19-11-17/h2-8,11,18H,9-10,12-14H2,1H3/t18-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
59n/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))
BDBM50156930
PNG
(CHEMBL3793264)
Show SMILES COc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1 |r|
Show InChI InChI=1/C18H22N2O3/c1-21-16-6-4-15(5-7-16)12-20-9-10-22-18(13-20)14-23-17-3-2-8-19-11-17/h2-8,11,18H,9-10,12-14H2,1H3/t18-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 210n/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