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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 = 'BDBM50414555'   
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))
BDBM50414555
PNG
(CHEMBL565075)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@H](CC3)C2)C1=O |r,wD:15.21,18.19,(12.76,-.71,;12.72,-2.25,;11.37,-2.98,;11.33,-4.53,;12.64,-5.34,;14,-4.6,;14.04,-3.05,;15.44,-5.15,;15.87,-6.63,;17.41,-6.67,;17.92,-5.22,;19.25,-4.44,;20.59,-5.2,;21.92,-4.42,;22.75,-2.96,;24.43,-2.94,;25.71,-3.64,;25.72,-5.11,;24.45,-5.86,;23.16,-5.16,;23.15,-3.69,;22.77,-5.87,;16.7,-4.28,;16.74,-2.74,)|
Show InChI InChI=1S/C19H26ClN3O/c20-17-2-1-3-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-5-16(14-21)7-6-15/h1-3,12,15-16H,4-11,13-14H2/t15-,16+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.16n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human DRD3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414555
PNG
(CHEMBL565075)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@H](CC3)C2)C1=O |r,wD:15.21,18.19,(12.76,-.71,;12.72,-2.25,;11.37,-2.98,;11.33,-4.53,;12.64,-5.34,;14,-4.6,;14.04,-3.05,;15.44,-5.15,;15.87,-6.63,;17.41,-6.67,;17.92,-5.22,;19.25,-4.44,;20.59,-5.2,;21.92,-4.42,;22.75,-2.96,;24.43,-2.94,;25.71,-3.64,;25.72,-5.11,;24.45,-5.86,;23.16,-5.16,;23.15,-3.69,;22.77,-5.87,;16.7,-4.28,;16.74,-2.74,)|
Show InChI InChI=1S/C19H26ClN3O/c20-17-2-1-3-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-5-16(14-21)7-6-15/h1-3,12,15-16H,4-11,13-14H2/t15-,16+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.16n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair