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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-XL' and Ligand = 'BDBM178659'   
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-XL


(Mus musculus (Mouse))
BDBM178659
PNG
(US9125913, 225)
Show SMILES OC1CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1 |t:4|
Show InChI InChI=1/C48H54ClN7O8S/c49-35-3-1-32(2-4-35)42-10-6-39(57)27-34(42)31-53-21-23-55(24-22-53)38-5-9-43(47(29-38)64-40-7-11-44-33(28-40)13-18-50-44)48(58)52-65(61,62)41-8-12-45(46(30-41)56(59)60)51-36-14-19-54(20-15-36)37-16-25-63-26-17-37/h1-5,7-9,11-13,18,28-30,36-37,39,50-51,57H,6,10,14-17,19-27,31H2,(H,52,58)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.48n/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