BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)C(=O)N1CCN(CCOc2ccccc2)CC1

InChI Key: InChIKey=CJXHLCBUPVLQCG-UHFFFAOYSA-N

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 4 hits for monomerid = 50016307   
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
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50016307
PNG
(CHEMBL3262808)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CCOc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-24-18-9-7-17(8-10-18)20(23)22-13-11-21(12-14-22)15-16-25-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.61E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in HEK293 cells by whole cell patch clamp assay


Eur J Med Chem 81: 89-94 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.075
BindingDB Entry DOI: 10.7270/Q2VX0J3N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016307
PNG
(CHEMBL3262808)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CCOc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-24-18-9-7-17(8-10-18)20(23)22-13-11-21(12-14-22)15-16-25-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by ChEMBL


Assay Description
Antagonist activity at human D2R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 120 min...


J Med Chem 63: 5526-5567 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00424
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016307
PNG
(CHEMBL3262808)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CCOc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-24-18-9-7-17(8-10-18)20(23)22-13-11-21(12-14-22)15-16-25-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by ChEMBL


Assay Description
Agonist activity at human D2R expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidas...


J Med Chem 63: 5526-5567 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00424
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50016307
PNG
(CHEMBL3262808)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CCOc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-24-18-9-7-17(8-10-18)20(23)22-13-11-21(12-14-22)15-16-25-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 115n/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by ChEMBL


Assay Description
Agonist activity at human D3R expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidas...


J Med Chem 63: 5526-5567 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00424
More data for this
Ligand-Target Pair