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BDBM50229782 6-[(4-(4-phenylpiperazin-1-yl)butyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol::CHEMBL254203

SMILES: CCCN(CCCCN1CCN(CC1)c1ccccc1)C1CCc2cc(O)c(O)cc2C1

InChI Key: InChIKey=BTNRAFHTPKZOBC-UHFFFAOYSA-N

Data: 2 KI

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   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 = 50229782   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50229782
PNG
(6-[(4-(4-phenylpiperazin-1-yl)butyl)(propyl)amino]...)
Show SMILES CCCN(CCCCN1CCN(CC1)c1ccccc1)C1CCc2cc(O)c(O)cc2C1 |w:20.21|
Show InChI InChI=1S/C27H39N3O2/c1-2-12-29(25-11-10-22-20-26(31)27(32)21-23(22)19-25)14-7-6-13-28-15-17-30(18-16-28)24-8-4-3-5-9-24/h3-5,8-9,20-21,25,31-32H,2,6-7,10-19H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.89n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50229782
PNG
(6-[(4-(4-phenylpiperazin-1-yl)butyl)(propyl)amino]...)
Show SMILES CCCN(CCCCN1CCN(CC1)c1ccccc1)C1CCc2cc(O)c(O)cc2C1 |w:20.21|
Show InChI InChI=1S/C27H39N3O2/c1-2-12-29(25-11-10-22-20-26(31)27(32)21-23(22)19-25)14-7-6-13-28-15-17-30(18-16-28)24-8-4-3-5-9-24/h3-5,8-9,20-21,25,31-32H,2,6-7,10-19H2,1H3
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21.7n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 101-17 (2008)


Article DOI: 10.1021/jm070860r
BindingDB Entry DOI: 10.7270/Q2VQ32FD
More data for this
Ligand-Target Pair