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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50008735   

TargetD(2) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  0.540nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(2) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  0.550nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  70nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  80nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  85nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  157nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  183nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  530nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  700nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  955nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  1.80E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  2.10E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi:  2.15E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
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