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SMILES: COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1

InChI Key:

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 6 hits for monomerid = 50578327   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578327
PNG
(CHEMBL4852808)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578327
PNG
(CHEMBL4852808)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578327
PNG
(CHEMBL4852808)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 19n/an/an/an/a


TBA

Assay Description
Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578327
PNG
(CHEMBL4852808)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.20n/an/an/an/a


TBA

Assay Description
Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing Rluc8-tagged Galpahi1 assessed as Galphai1 dissocia...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578327
PNG
(CHEMBL4852808)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 19n/an/an/an/a


TBA

Assay Description
Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50578327
PNG
(CHEMBL4852808)
Show SMILES COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2CCC(=O)Nc2c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.20n/an/an/an/a


TBA

Assay Description
Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing Rluc8-tagged Galpahi1 assessed as Galphai1 dissocia...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair