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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 = 'BDBM161579'   
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))		BDBM161579
PNG
(US9108983, Example 394)
Show SMILES CN1CCc2cc(cnc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C44H47ClN6O4/c1-29-39(44(54)51(34-11-13-37(52)14-12-34)36-24-31-16-18-47(2)42(31)46-27-36)26-41(48(29)3)40-25-33(45)10-15-38(40)43(53)50-28-32-8-5-4-7-30(32)23-35(50)9-6-17-49-19-21-55-22-20-49/h4-5,7-8,10-15,24-27,35,52H,6,9,16-23,28H2,1-3H3/t35-/m1/s1
PDB

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Similars
US Patent
n/an/a 2.5n/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