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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 = 'BDBM161580'   
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))		BDBM161580
PNG
(US9108983, Example 395)
Show SMILES COc1ccc(cc1C#N)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C42H40ClN5O5/c1-27-37(42(51)48(32-9-12-35(49)13-10-32)33-11-15-40(52-3)30(21-33)24-44)23-39(45(27)2)38-22-31(43)8-14-36(38)41(50)47-25-29-7-5-4-6-28(29)20-34(47)26-46-16-18-53-19-17-46/h4-15,21-23,34,49H,16-20,25-26H2,1-3H3/t34-/m0/s1
PDB

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PC cid
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Similars
US Patent
n/an/a 3.5n/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