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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 = 'BDBM178579'   
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))
BDBM178579
PNG
(US9125913, 138)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCN3CCCC3)ccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H53ClN6O8S/c49-38-10-8-36(9-11-38)43-16-13-41(62-29-26-52-20-4-5-21-52)30-37(43)34-53-22-24-54(25-23-53)39-12-15-44(47(31-39)63-40-6-2-1-3-7-40)48(56)51-64(59,60)42-14-17-45(46(32-42)55(57)58)50-33-35-18-27-61-28-19-35/h1-3,6-17,30-32,35,50H,4-5,18-29,33-34H2,(H,51,56)
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