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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50172509'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172509
PNG
(CHEMBL197159 | Dipropyl-(R)-4,5,6,7-tetrahydro-pyr...)
Show SMILES CCCN(CCC)[C@@H]1CCn2nccc2C1
Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m1/s1
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor 2 (long) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172509
PNG
(CHEMBL197159 | Dipropyl-(R)-4,5,6,7-tetrahydro-pyr...)
Show SMILES CCCN(CCC)[C@@H]1CCn2nccc2C1
Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m1/s1
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor 2 (short) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172509
PNG
(CHEMBL197159 | Dipropyl-(R)-4,5,6,7-tetrahydro-pyr...)
Show SMILES CCCN(CCC)[C@@H]1CCn2nccc2C1
Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m1/s1
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Article
PubMed
5.30E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172509
PNG
(CHEMBL197159 | Dipropyl-(R)-4,5,6,7-tetrahydro-pyr...)
Show SMILES CCCN(CCC)[C@@H]1CCn2nccc2C1
Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m1/s1
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Article
PubMed
5.50E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50172509
PNG
(CHEMBL197159 | Dipropyl-(R)-4,5,6,7-tetrahydro-pyr...)
Show SMILES CCCN(CCC)[C@@H]1CCn2nccc2C1
Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m1/s1
PDB

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UniChem

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Article
PubMed
5.70E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair