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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50446923'   
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))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
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Article
PubMed
0.680n/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))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
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Article
PubMed
0.680n/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))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
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Article
PubMed
51n/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))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
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Article
PubMed
51.2n/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))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
PDB

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Article
PubMed
166n/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))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
PDB

Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
166n/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