BDBM50292410 (-)-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)::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)::Butaclamol::CHEMBL479587::l-Butaclamol
SMILES: CC(C)(C)[C@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34
InChI Key: InChIKey=ZZJYIKPMDIWRSN-RQTOMXEWSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50292410 ((-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor | J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50292410 ((-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration inhibiting the specific binding of [3H]spiroperidol by 50% | J Med Chem 27: 165-75 (1984) BindingDB Entry DOI: 10.7270/Q24T6MMX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type I I alpha subunit (Homo sapiens (Human)) | BDBM50292410 ((-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea... | J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50292410 ((-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonist required to inhibit Dopamine receptor D2 photoinactivation by 50% with Iodazidoclebopride using [3H]spiperone | J Med Chem 28: 405-7 (1985) BindingDB Entry DOI: 10.7270/Q2542P5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50292410 ((-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lund Curated by ChEMBL | Assay Description Binding affinity against Dopamine receptor D2 using [3H]spiroperidol | J Med Chem 31: 306-12 (1988) BindingDB Entry DOI: 10.7270/Q29887KQ | |||||||||||
More data for this Ligand-Target Pair |