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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2C adrenergic receptor' and Ligand = 'BDBM50163474'   
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-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163474
PNG
(CHEMBL425324 | Isonicotinic acid (3R,3aS)-3-[4-((E...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)c4ccncc4)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C31H32N4O4/c1-22(17-23-5-3-2-4-6-23)19-34-13-15-35(16-14-34)20-29-27-21-37-28-18-25(7-8-26(28)30(27)33-39-29)38-31(36)24-9-11-32-12-10-24/h2-12,17-18,27,29H,13-16,19-21H2,1H3/b22-17+/t27-,29-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair