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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50287167'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287167
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(C)c1
Show InChI InChI=1S/C25H28BrN3O2/c1-18-6-5-7-19(16-18)29-14-12-28(13-15-29)11-10-27-25(30)22-17-23(26)20-8-3-4-9-21(20)24(22)31-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
316n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287167
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(C)c1
Show InChI InChI=1S/C25H28BrN3O2/c1-18-6-5-7-19(16-18)29-14-12-28(13-15-29)11-10-27-25(30)22-17-23(26)20-8-3-4-9-21(20)24(22)31-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
339n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair