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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50057767'   
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))
BDBM50057767
PNG
(CHEMBL3323017 | US9598387, Compound 116 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3nc(Cl)ccc3n2)CC1
Show InChI InChI=1S/C24H30ClF3N8O/c1-23(2,3)22-31-17(24(26,27)28)14-20(32-22)35-12-10-34(11-13-35)9-5-4-8-29-21(37)16-15-36-19(30-16)7-6-18(25)33-36/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,29,37)
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Article
PubMed
10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057767
PNG
(CHEMBL3323017 | US9598387, Compound 116 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3nc(Cl)ccc3n2)CC1
Show InChI InChI=1S/C24H30ClF3N8O/c1-23(2,3)22-31-17(24(26,27)28)14-20(32-22)35-12-10-34(11-13-35)9-5-4-8-29-21(37)16-15-36-19(30-16)7-6-18(25)33-36/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,29,37)
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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US Patent
10.2n/an/an/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...


J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2HD7Z0N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057767
PNG
(CHEMBL3323017 | US9598387, Compound 116 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3nc(Cl)ccc3n2)CC1
Show InChI InChI=1S/C24H30ClF3N8O/c1-23(2,3)22-31-17(24(26,27)28)14-20(32-22)35-12-10-34(11-13-35)9-5-4-8-29-21(37)16-15-36-19(30-16)7-6-18(25)33-36/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,29,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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US Patent
10.2n/an/an/an/an/an/an/an/a



Southern Research Institute

US Patent


Assay Description
The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...


US Patent US9598387 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2D1Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057767
PNG
(CHEMBL3323017 | US9598387, Compound 116 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3nc(Cl)ccc3n2)CC1
Show InChI InChI=1S/C24H30ClF3N8O/c1-23(2,3)22-31-17(24(26,27)28)14-20(32-22)35-12-10-34(11-13-35)9-5-4-8-29-21(37)16-15-36-19(30-16)7-6-18(25)33-36/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,29,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against D3R in human U2OS cells assessed as inhibition of (+)-PD128907-induced beta-arrestin translocation by beta-galactosidase ...


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057767
PNG
(CHEMBL3323017 | US9598387, Compound 116 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3nc(Cl)ccc3n2)CC1
Show InChI InChI=1S/C24H30ClF3N8O/c1-23(2,3)22-31-17(24(26,27)28)14-20(32-22)35-12-10-34(11-13-35)9-5-4-8-29-21(37)16-15-36-19(30-16)7-6-18(25)33-36/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,29,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 637n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human D3R expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis after 24 hrs by [3H]thymidine u...


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair