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BDBM50156924 CHEMBL3792931

SMILES: C(Oc1ccccc1)[C@@H]1CN(Cc2ncn3ccccc23)CCO1

InChI Key: InChIKey=DZLWDCUOZPPBTR-AGDOHHJYNA-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 = 50156924   
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))
BDBM50156924
PNG
(CHEMBL3792931)
Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2ncn3ccccc23)CCO1 |r|
Show InChI InChI=1/C19H21N3O2/c1-2-6-16(7-3-1)24-14-17-12-21(10-11-23-17)13-18-19-8-4-5-9-22(19)15-20-18/h1-9,15,17H,10-14H2/t17-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
35n/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))
BDBM50156924
PNG
(CHEMBL3792931)
Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2ncn3ccccc23)CCO1 |r|
Show InChI InChI=1/C19H21N3O2/c1-2-6-16(7-3-1)24-14-17-12-21(10-11-23-17)13-18-19-8-4-5-9-22(19)15-20-18/h1-9,15,17H,10-14H2/t17-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 130n/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