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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 = 'BDBM161590'   
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))		BDBM161590
PNG
(US9108983, Example 406)
Show SMILES Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C41H42N6O4/c1-27-37(41(50)47(31-13-15-34(48)16-14-31)38-22-32(24-42)43(3)28(38)2)23-39(44(27)4)35-11-7-8-12-36(35)40(49)46-25-30-10-6-5-9-29(30)21-33(46)26-45-17-19-51-20-18-45/h5-16,22-23,33,48H,17-21,25-26H2,1-4H3/t33-/m0/s1
PDB

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PC cid
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Similars
US Patent
n/an/a 4.20n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair