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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50229171   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229171
PNG
(CHEMBL411954)
Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCCC
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.30n/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)


BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229171
PNG
(CHEMBL411954)
Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCCC
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.29E+3n/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)


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