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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50087149'   
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))		BDBM50087149
PNG
(1N-{8-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C48H64N6O4/c55-41-17-15-29-27-53-23-19-33-31-11-5-7-13-37(31)51-45(33)39(53)25-35(29)43(41)47(57)49-21-9-3-1-2-4-10-22-50-48(58)44-36-26-40-46-34(32-12-6-8-14-38(32)52-46)20-24-54(40)28-30(36)16-18-42(44)56/h5-8,11-14,29-30,35-36,39-44,51-52,55-56H,1-4,9-10,15-28H2,(H,49,57)(H,50,58)/t29-,30-,35-,36-,39-,40-,41-,42-,43+,44+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 0.760n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair