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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 = 'BDBM156405'   
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))
BDBM156405
PNG
(US9018381, 28 | US9248140, 28)
Show SMILES CC(C)(C)OP(O)(=O)OCO[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C51H59ClF3N4O11PS3/c1-50(2,3)70-71(61,62)69-35-68-48(45-12-8-7-11-44(45)36-13-17-39(52)18-14-36)37-23-27-59(28-24-37)41-19-15-38(16-20-41)49(60)57-74(65,66)43-21-22-46(47(33-43)73(63,64)51(53,54)55)56-40(25-26-58-29-31-67-32-30-58)34-72-42-9-5-4-6-10-42/h4-22,33,37,40,48,56H,23-32,34-35H2,1-3H3,(H,57,60)(H,61,62)/t40-,48-/m1/s1
PDB

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PC cid
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Similars

US Patent
n/an/a 4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair