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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50041052   
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))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 372n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 479n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403976
PNG
(CHEMBL314107)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
Show InChI InChI=1/C19H20F2N2O/c1-22(2)11-16-10-19-17-8-14(20)5-3-12(17)7-13-4-6-15(21)9-18(13)23(19)24-16/h3-6,8-9,16,19H,7,10-11H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403978
PNG
(CHEMBL85735)
Show SMILES CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
Show InChI InChI=1/C20H24N2O/c1-14-8-9-16-11-15-6-4-5-7-18(15)20-12-17(13-21(2)3)23-22(20)19(16)10-14/h4-10,17,20H,11-13H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair