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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50004923'   
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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

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25n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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Article
PubMed
190n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 9425-31 (2008)


Article DOI: 10.1016/j.bmc.2008.09.049
BindingDB Entry DOI: 10.7270/Q2RN37P0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

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393n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition bi...


Eur J Med Chem 85: 16-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.059
BindingDB Entry DOI: 10.7270/Q2PZ5BK4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

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n/an/an/an/a 170n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at dopamine D1 receptor assessed as [35S]GTPgammaS binding in cell-based assay


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

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n/an/an/an/a 386n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D1 in vitro in carp retina


J Med Chem 33: 2948-50 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3N4J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

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CHEMBL
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Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at dopamine D1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding by scintillatio...


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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PubMed
n/an/an/an/a 386n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D1 in vitro in carp retina


J Med Chem 33: 2948-50 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3N4J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

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US Patent
n/an/an/an/a 248n/an/a7.5n/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
For detecting the agonism action of the compounds, the [35S]GTPγS binding assay was performed at 30 C. for 40 mins in reaction buffer containin...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

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Article
PubMed
n/an/an/an/a 140n/an/a7.5n/a



Fudan University



Assay Description
The [35S]GTPγS binding assay was performed at 30 C for 30 min containing 10 μgof membrane protein in a final volume of 100 μL with va...


Chem Biol Drug Des 88: 599-607 (2016)


Article DOI: 10.1111/cbdd.12796
BindingDB Entry DOI: 10.7270/Q2QF8RQ5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 180n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at D1 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair