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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 = 'BDBM50427829'   
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))		BDBM50427829
PNG
(CHEMBL2325767)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(Cl)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H49Cl2N7O4S2/c1-32-45(48)44(46(52(32)4)33-13-15-35(47)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-61(58,59)41-21-22-42(43(30-41)55(56)57)49-37(23-24-51(2)3)31-60-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3/t37-/m1/s1
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Article
PubMed
n/an/a 260n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay

J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair