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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 = 'BDBM50446922'   
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))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
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Article
PubMed
80.5n/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))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
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Article
PubMed
81n/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))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
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Article
PubMed
131n/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))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
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Article
PubMed
131n/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))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 1.60n/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