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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50391283'   
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
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50391283
PNG
(CHEMBL5268064)
Show SMILES OC(=O)CC\C=C/CO[C@H]1C(CC[C@@H]1N1CCCCCC1)OCc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C30H39NO5/c32-26-15-13-25(14-16-26)24-11-9-23(10-12-24)22-36-28-18-17-27(31-19-5-1-2-6-20-31)30(28)35-21-7-3-4-8-29(33)34/h3,7,9-16,27-28,30,32H,1-2,4-6,8,17-22H2,(H,33,34)/b7-3-/t27-,28?,30+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a>4.50E+4n/an/an/an/an/an/a


TBA

Assay Description
The compound was tested for beta-adrenergic activity against Beta-1 adrenergic receptor from guinea pig left atria

Citation and Details
More data for this
Ligand-Target Pair