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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor [16-465]' and Ligand = 'BDBM50085680'   
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]


(Rattus norvegicus (rat))
BDBM50085680
PNG
(4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole...)
Show SMILES C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|
Show InChI InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)
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CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085680
PNG
(4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole...)
Show SMILES C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|
Show InChI InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50085680
PNG
(4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole...)
Show SMILES C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|
Show InChI InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
254n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
in vitro alpha-2A adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair