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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 = 'BDBM161608'   
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))		BDBM161608
PNG
(US9108983, Example 425)
Show SMILES COc1cc(cc(c1)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1)C#N
Show InChI InChI=1S/C42H40FN5O5/c1-27-38(42(51)48(32-9-11-35(49)12-10-32)33-18-28(24-44)19-36(22-33)52-3)23-40(45(27)2)39-21-31(43)8-13-37(39)41(50)47-25-30-7-5-4-6-29(30)20-34(47)26-46-14-16-53-17-15-46/h4-13,18-19,21-23,34,49H,14-17,20,25-26H2,1-3H3/t34-/m0/s1
PDB

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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