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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 = 'BDBM50391288'   
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))		BDBM50391288
PNG
(CHEMBL5288438)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(COC2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C31H42N2O6S/c1-40(36,37)32-27-11-9-10-26(22-27)25-15-13-24(14-16-25)23-39-29-18-17-28(33-19-6-2-3-7-20-33)31(29)38-21-8-4-5-12-30(34)35/h4,8-11,13-16,22,28-29,31-32H,2-3,5-7,12,17-21,23H2,1H3,(H,34,35)/b8-4-/t28-,29?,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 2.80E+3n/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