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BDBM50157062 CHEMBL3794421

SMILES: COc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1

InChI Key: InChIKey=QCGYWEFYNAFTIU-IBGZPJMESA-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50157062   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50157062
PNG
(CHEMBL3794421)
Show SMILES COc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1 |r|
Show InChI InChI=1S/C19H22ClNO3/c1-22-17-6-8-18(9-7-17)24-14-19-13-21(10-11-23-19)12-15-2-4-16(20)5-3-15/h2-9,19H,10-14H2,1H3/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
42n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50157062
PNG
(CHEMBL3794421)
Show SMILES COc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1 |r|
Show InChI InChI=1S/C19H22ClNO3/c1-22-17-6-8-18(9-7-17)24-14-19-13-21(10-11-23-19)12-15-2-4-16(20)5-3-15/h2-9,19H,10-14H2,1H3/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 150n/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