BDBM50008735 (+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol::(+)-butaclamol::(+/-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol::(S)-(-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol::3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol::3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol ((+)-butaclamol)::3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol((+)-butaclamol)::3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol(Butaclamol)::BUTACLAMOL::BUTACLAMOL, (-)::BUTACLAMOL,(+)::BUTACLAMOL,d-::CHEMBL8514::d-Butaclamol

SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34

InChI Key InChIKey=ZZJYIKPMDIWRSN-HWBMXIPRSA-N

Data  141 KI  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50008735   

TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University of North Texas

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  0.5nMAssay Description:In vitro binding affinity measured on dopamine receptor D2 using [3H]-spiroperidol as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University of North Texas

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of binding of radioligand [3H]-spiroperidol to dopamine D2 receptor in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Collegium Medicum

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  5nMAssay Description:Antagonist activity at human recombinant at D2S receptor assessed as inhibition of dopamine-induced cAMP accumulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Collegium Medicum

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  16nMAssay Description:Antagonist activity at human recombinant at D3 receptor assessed as inhibition of dopamine-induced cAMP accumulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Collegium Medicum

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  16nMAssay Description:Antagonist activity against human recombinant dopmaine D3 receptor expressed in CHOK1 cells assessed as reduction in dopamine-induced cAMP levelsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Collegium Medicum

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  0.810nMAssay Description:Displacement of [3H]methyl-spiperone from human recombinant D2S receptor in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Collegium Medicum

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  1.10nMAssay Description:Displacement of [3H]methylspiperone from human recombinant Dopamine D2S receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  2nMAssay Description:Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  12nMAssay Description:Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  12nMAssay Description:Compound was tested in vitro for its ability to displace [3H]spiroperidol from labeled dopamine receptors of corpus striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Collegium Medicum

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataIC50:  1.60nMAssay Description:Displacement of [3H]methylspiperone from human recombinant Dopamine D3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed