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Target
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EC50
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Compile Data Set for Download or QSAR
Found
3
hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50017696'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
D(1A) dopamine receptor
(RAT)
BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES
CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI
InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
PDB
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
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Article
PubMed
1.78E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Université Catholique de Louvain
Curated by
PDSP K
i
Database
Life Sci
37:
1971
-
83
(1985)
Article DOI:
10.1016/0024-3205(85)90028-1
BindingDB Entry DOI:
10.7270/Q2HX1B5B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor
(BOVINE)
BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES
CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI
InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
PDSP K
i
Database
J Neuropsychiatry Clin Neurosci
8:
223
-
6
(1996)
Article DOI:
10.1176/jnp.8.2.223
BindingDB Entry DOI:
10.7270/Q27S7M9V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor
(BOVINE)
BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES
CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI
InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
PDSP K
i
Database
Mol Pharmacol
12:
800
-
12
(1976)
BindingDB Entry DOI:
10.7270/Q22B8WH6
More data for this
Ligand-Target Pair