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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 = 'BDBM50044953'   
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))		BDBM50044953
PNG
(CHEMBL3309310)
Show SMILES Cn1ncc(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C43H47ClF3N7O6S3/c1-51-41(31-7-11-34(44)12-8-31)33(28-48-51)29-53-19-21-54(22-20-53)36-13-9-32(10-14-36)42(55)50-63(58,59)38-15-16-39(40(27-38)62(56,57)43(45,46)47)49-35(17-18-52-23-25-60-26-24-52)30-61-37-5-3-2-4-6-37/h2-16,27-28,35,49H,17-26,29-30H2,1H3,(H,50,55)/t35-/m1/s1
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Similars
Article
PubMed
n/an/a<10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...

Bioorg Med Chem Lett 24: 3026-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.036
BindingDB Entry DOI: 10.7270/Q27M09JW
More data for this
Ligand-Target Pair