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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 = 'BDBM50231394'   
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))		BDBM50231394
PNG
(CHEMBL4061309)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc(C[C@H](NC(=O)c3cn(Cc4ccc(cc4)-c4ccc(Cl)cc4)c4ccccc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1 |r|
Show InChI InChI=1S/C44H33Cl2N5O9S/c45-33-15-13-32(14-16-33)31-11-5-29(6-12-31)25-49-26-38(37-3-1-2-4-41(37)49)43(52)47-40(44(53)48-61(58,59)36-21-22-39(46)42(24-36)51(56)57)23-28-9-19-35(20-10-28)60-27-30-7-17-34(18-8-30)50(54)55/h1-22,24,26,40H,23,25,27H2,(H,47,52)(H,48,53)/t40-/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to Bcl2 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...

Bioorg Med Chem 25: 1939-1948 (2017)


Article DOI: 10.1016/j.bmc.2017.02.014
BindingDB Entry DOI: 10.7270/Q2765HKK
More data for this
Ligand-Target Pair