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SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=IGAMPBMZUPINSL-DIPNUNPCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50274315   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50274315
PNG
((R)-4-(4-((4'-Chlorobiphenyl-2-yl)methyl)piperazin...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H46ClN5O3S2/c1-46(2)25-24-37(31-52-39-9-4-3-5-10-39)44-36-18-22-40(23-19-36)53(50,51)45-42(49)33-14-20-38(21-15-33)48-28-26-47(27-29-48)30-34-8-6-7-11-41(34)32-12-16-35(43)17-13-32/h3-23,37,44H,24-31H2,1-2H3,(H,45,49)/t37-/m1/s1
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Article
PubMed
 14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of fluorescein labeled BAD peptide from Bcl-XL (unknown origin) by fluorescence polarization assay

J Med Chem 51: 6902-15 (2008)


Article DOI: 10.1021/jm800669s
BindingDB Entry DOI: 10.7270/Q2057FR7
More data for this
Ligand-Target Pair