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BDBM50027081 CHEMBL3335555

SMILES: Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1

InChI Key: InChIKey=PSDFKKSPYSFZKR-TWYLJJHKNA-N

Data: 2 KI  3 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 5 hits for monomerid = 50027081   
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))
BDBM50027081
PNG
(CHEMBL3335555)
Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
Show InChI InChI=1/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/s2
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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
28n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50027081
PNG
(CHEMBL3335555)
Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
Show InChI InChI=1/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.77E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50027081
PNG
(CHEMBL3335555)
Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
Show InChI InChI=1/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.17E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50027081
PNG
(CHEMBL3335555)
Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
Show InChI InChI=1/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50027081
PNG
(CHEMBL3335555)
Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
Show InChI InChI=1/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2L receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair