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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 50002434   
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
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50026636
PNG
(17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1
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PC sid
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Article
PubMed
n/an/an/a 13.8n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro presynaptic agonist potency at alpha-2 adrenergic receptor in rat or mouse vas deferens relative to clonidine


J Med Chem 26: 823-31 (1983)


Article DOI: 10.1021/jm00360a008
BindingDB Entry DOI: 10.7270/Q2M909V7
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50026636
PNG
(17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 14n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro presynaptic agonist potency at alpha-2 adrenergic receptor in rat or mouse vas deferens relative to clonidine


J Med Chem 26: 823-31 (1983)


Article DOI: 10.1021/jm00360a008
BindingDB Entry DOI: 10.7270/Q2M909V7
More data for this
Ligand-Target Pair