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BDBM50156939 CHEMBL3793137

SMILES: Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1

InChI Key: InChIKey=YDZDCNNFRHUVAO-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 = 50156939   
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))
BDBM50156939
PNG
(CHEMBL3793137)
Show SMILES Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C20H21ClN2O2/c21-16-6-7-19-15(11-22-20(19)10-16)12-23-8-9-24-18(13-23)14-25-17-4-2-1-3-5-17/h1-7,10-11,18,22H,8-9,12-14H2/t18-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20n/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))
BDBM50156939
PNG
(CHEMBL3793137)
Show SMILES Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C20H21ClN2O2/c21-16-6-7-19-15(11-22-20(19)10-16)12-23-8-9-24-18(13-23)14-25-17-4-2-1-3-5-17/h1-7,10-11,18,22H,8-9,12-14H2/t18-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8n/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