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BDBM50279805 (S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]quinolin-2-ylamine::CHEMBL348012

SMILES: CN1CCC=C2[C@@H]1CCc1sc(N)nc21

InChI Key: InChIKey=XFJSSDHKIXXJLM-QMMMGPOBSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50279805   
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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50279805
PNG
((S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f...)
Show SMILES CN1CCC=C2[C@@H]1CCc1sc(N)nc21 |c:4|
Show InChI InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)/t8-/m0/s1
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Article
n/an/a 2.92E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50279805
PNG
((S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f...)
Show SMILES CN1CCC=C2[C@@H]1CCc1sc(N)nc21 |c:4|
Show InChI InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)/t8-/m0/s1
PDB

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PC cid
PC sid
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Article
n/an/a 768n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for binding affinity to Dopamine receptor D2 in rat striatal membranes using D2 antagonist [3H]-spiperone


Bioorg Med Chem Lett 1: 539-544 (1991)


Article DOI: 10.1016/S0960-894X(01)80462-5
BindingDB Entry DOI: 10.7270/Q22807HM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50279805
PNG
((S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f...)
Show SMILES CN1CCC=C2[C@@H]1CCc1sc(N)nc21 |c:4|
Show InChI InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)/t8-/m0/s1
PDB

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Article
n/an/a 202n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50279805
PNG
((S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f...)
Show SMILES CN1CCC=C2[C@@H]1CCc1sc(N)nc21 |c:4|
Show InChI InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)/t8-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist binding affinity was determined by displacing the [3H]-SCH- in rat striatal Dopamine receptor D1


Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50279805
PNG
((S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f...)
Show SMILES CN1CCC=C2[C@@H]1CCc1sc(N)nc21 |c:4|
Show InChI InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)/t8-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for binding affinity to Dopamine receptor D1 in rat striatal membranes using D1 antagonist [3H]-SCH-23,390


Bioorg Med Chem Lett 1: 539-544 (1991)


Article DOI: 10.1016/S0960-894X(01)80462-5
BindingDB Entry DOI: 10.7270/Q22807HM
More data for this
Ligand-Target Pair