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BDBM50156959 CHEMBL3793858

SMILES: COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1

InChI Key: InChIKey=RQXFLAKTVTURTA-TWYLJJHKNA-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 = 50156959   
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))
BDBM50156959
PNG
(CHEMBL3793858)
Show SMILES COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 |r|
Show InChI InChI=1/C19H23NO3/c1-21-17-9-7-16(8-10-17)13-20-11-12-22-19(14-20)15-23-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3/t19-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
44n/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))
BDBM50156959
PNG
(CHEMBL3793858)
Show SMILES COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 |r|
Show InChI InChI=1/C19H23NO3/c1-21-17-9-7-16(8-10-17)13-20-11-12-22-19(14-20)15-23-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3/t19-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/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