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SMILES: COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1

InChI Key: InChIKey=OUNYCNQDFAUREF-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50378002   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378002
PNG
(CHEMBL1627320 | US8748608, 39)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29)
PDB

UniProtKB/SwissProt

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Similars

US Patent
4.60n/an/an/an/an/an/an/an/a



The United States of America as Represented by the Secretary of the Department of Health and Human Services; The University of North Texas Health Science Center at Fort Worth

US Patent


Assay Description
Methods for performing in vitro dopamine receptor binding studies are described in Huang et al. J. Med. Chem. 44:1815-1826 (2001) and Luedtke et al. ...


US Patent US8748608 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KVC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378002
PNG
(CHEMBL1627320 | US8748608, 39)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29)
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Article
PubMed
4.60n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50378002
PNG
(CHEMBL1627320 | US8748608, 39)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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Article
PubMed
6.65E+3n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378002
PNG
(CHEMBL1627320 | US8748608, 39)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 39.1n/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair