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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 = 'BDBM354594'   
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))		BDBM354594
PNG
(N-Butyl-N-(4-hydroxyphenyl)-1,2-dimethyl-5-{7-[(3S...)
Show SMILES CCCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C49H55N5O5/c1-4-5-20-53(40-15-17-42(55)18-16-40)48(57)43-30-46(50(3)34(43)2)44-28-37-19-21-52(47(56)26-35-11-7-6-8-12-35)31-39(37)29-45(44)49(58)54-32-38-14-10-9-13-36(38)27-41(54)33-51-22-24-59-25-23-51/h6-18,28-30,41,55H,4-5,19-27,31-33H2,1-3H3/t41-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/an/an/an/an/an/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 US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair