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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50020217'   
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))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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0.339n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to high-affinity state of D2L receptor (unknown origin)


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]spip as radioligand


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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6.31n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Agonistic activity at DRD2 receptor


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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Neuroscience Research Centre

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 417-26 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.003
BindingDB Entry DOI: 10.7270/Q2C827SR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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19n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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147n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Eur J Pharmacol 233: 173-4 (1993)


Article DOI: 10.1016/0014-2999(93)90365-o
BindingDB Entry DOI: 10.7270/Q25D8QBH
More data for this
Ligand-Target Pair