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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 = 'BDBM50181881'   
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))		BDBM50181881
PNG
(CHEMBL370837 | N-[2'-methoxy-4'-(3-morpholin-4-ylp...)
Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C41H49N5O8S2/c1-52-40-28-31(6-5-18-44-20-24-53-25-21-44)9-15-37(40)32-10-12-33(13-11-32)41(47)43-56(50,51)36-14-16-38(39(29-36)46(48)49)42-34(17-19-45-22-26-54-27-23-45)30-55-35-7-3-2-4-8-35/h2-4,7-16,28-29,34,42H,5-6,17-27,30H2,1H3,(H,43,47)/t34-/m1/s1
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Article
PubMed
 165n/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