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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 = 'BDBM178574'   
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


(Mus musculus (Mouse))
BDBM178574
PNG
(US9125913, 133)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClN7O7S/c1-50(2)27-28-60-39-14-17-41(33-9-11-35(47)12-10-33)34(29-39)32-52-23-25-53(26-24-52)37-13-16-42(45(30-37)61-38-7-5-4-6-8-38)46(55)49-62(58,59)40-15-18-43(44(31-40)54(56)57)48-36-19-21-51(3)22-20-36/h4-18,29-31,36,48H,19-28,32H2,1-3H3,(H,49,55)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.00900n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair