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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50209685'   
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


(Homo sapiens (Human))
BDBM50209685
PNG
(CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|
Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+
PDB

UniProtKB/SwissProt

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PC sid
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Similars

Article
PubMed
117n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50209685
PNG
(CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|
Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
117n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair