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SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=NBMKOQKSMOMHKB-PSXMRANNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50274325   
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))		BDBM50274325
PNG
((R)-4-(4-((2-(4-Chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:44|
Show InChI InChI=1S/C44H53ClN6O5S2/c1-44(2)22-20-40(32-10-14-35(45)15-11-32)34(29-44)30-49-24-26-50(27-25-49)37-16-12-33(13-17-37)43(52)47-58(55,56)39-18-19-41(42(28-39)51(53)54)46-36(21-23-48(3)4)31-57-38-8-6-5-7-9-38/h5-19,28,36,46H,20-27,29-31H2,1-4H3,(H,47,52)/t36-/m1/s1
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Similars
Article
PubMed
 1.40n/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