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BDBM50229146 CHEMBL163290

SMILES: [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CC

InChI Key: InChIKey=TVVWINRTHDZMPE-NJAFHUGGSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50229146   
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229146
PNG
(CHEMBL163290)
Show SMILES CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C18H26N2O2S/c1-2-23(21,22)20-10-5-7-15-13-19-11-9-14-6-3-4-8-16(14)18(19)12-17(15)20/h3-4,6,8,15,17-18H,2,5,7,9-13H2,1H3/t15-,17+,18+/m1/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229146
PNG
(CHEMBL163290)
Show SMILES CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C18H26N2O2S/c1-2-23(21,22)20-10-5-7-15-13-19-11-9-14-6-3-4-8-16(14)18(19)12-17(15)20/h3-4,6,8,15,17-18H,2,5,7,9-13H2,1H3/t15-,17+,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.07E+4n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair