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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50446925'   
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))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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Article
PubMed
3.79n/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))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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Article
PubMed
3.80n/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))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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Article
PubMed
51.8n/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))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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Article
PubMed
52n/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))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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Article
PubMed
140n/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))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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Article
PubMed
140n/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))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 0.631n/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins...


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