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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50181882'   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50181882
PNG
((R)-3-(4-{[2'-methoxy-4'-(3-morpholin-4-ylpropyl)b...)
Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C39H45N5O8S2/c1-42(2)38(45)25-31(27-53-32-9-5-4-6-10-32)40-35-18-16-33(26-36(35)44(47)48)54(49,50)41-39(46)30-14-12-29(13-15-30)34-17-11-28(24-37(34)51-3)8-7-19-43-20-22-52-23-21-43/h4-6,9-18,24,26,31,40H,7-8,19-23,25,27H2,1-3H3,(H,41,46)/t31-/m1/s1
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Similars
Article
PubMed
 121n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl2 by fluorescence polarization assay

J Med Chem 49: 1165-81 (2006)


Article DOI: 10.1021/jm050754u
BindingDB Entry DOI: 10.7270/Q2VM4BT0
More data for this
Ligand-Target Pair