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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 = 'BDBM156377'   
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))
BDBM156377
PNG
(US9018381, 2 | US9248140, 2)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C43H46ClN5O6S2/c1-47(2)25-24-34(29-56-36-8-4-3-5-9-36)45-40-21-20-37(28-41(40)49(52)53)57(54,55)46-43(51)32-14-18-35(19-15-32)48-26-22-31(23-27-48)42(50)39-11-7-6-10-38(39)30-12-16-33(44)17-13-30/h3-21,28,31,34,42,45,50H,22-27,29H2,1-2H3,(H,46,51)/t34-,42-/m1/s1
PDB

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PC cid
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UniChem

Similars

US Patent
n/an/a 0.300n/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