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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM209098'   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209098
PNG
(US9266877, 44)
Show SMILES CN(C)CCCNc1ccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1[N+]([O-])=O
Show InChI InChI=1S/C38H37N9O5S/c1-44(2)17-6-16-39-30-13-11-24(19-32(30)47(51)52)21-46-22-26(20-40-46)27-12-14-34(42-35(27)37(49)50)45-18-15-25-7-5-8-28(29(25)23-45)36(48)43-38-41-31-9-3-4-10-33(31)53-38/h3-5,7-14,19-20,22,39H,6,15-18,21,23H2,1-2H3,(H,49,50)(H,41,43,48)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
17 -44.3n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Mus musculus (Mouse))
BDBM209098
PNG
(US9266877, 44)
Show SMILES CN(C)CCCNc1ccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1[N+]([O-])=O
Show InChI InChI=1S/C38H37N9O5S/c1-44(2)17-6-16-39-30-13-11-24(19-32(30)47(51)52)21-46-22-26(20-40-46)27-12-14-34(42-35(27)37(49)50)45-18-15-25-7-5-8-28(29(25)23-45)36(48)43-38-41-31-9-3-4-10-33(31)53-38/h3-5,7-14,19-20,22,39H,6,15-18,21,23H2,1-2H3,(H,49,50)(H,41,43,48)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair