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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 = 'BDBM312098'   
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))		BDBM312098
PNG
(N-(4-Hydroxyphenyl)-N-(1-methyl-1H-indol-5-yl)-3-{...)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4[nH]ccc4c3)c3CCCCn23)CC1
Show InChI InChI=1S/C46H46N6O5/c1-48-18-20-49(21-19-48)28-35-22-30-6-2-3-7-32(30)27-51(35)45(54)38-26-44-43(56-29-57-44)25-37(38)42-24-39(41-8-4-5-17-50(41)42)46(55)52(33-9-12-36(53)13-10-33)34-11-14-40-31(23-34)15-16-47-40/h2-3,6-7,9-16,23-26,35,47,53H,4-5,8,17-22,27-29H2,1H3/t35-/m0/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 12n/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, at a final concentration of 2.50×10−8 M, is...

US Patent US9603854 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DMT
More data for this
Ligand-Target Pair