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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 = 'BDBM209083'   
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))
BDBM209083
PNG
(US9266877, 29)
Show SMILES Cc1noc(n1)-c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Show InChI InChI=1S/C36H28N8O4S/c1-21-38-34(48-42-21)24-8-4-6-22(16-24)18-44-19-25(17-37-44)26-12-13-31(40-32(26)35(46)47)43-15-14-23-7-5-9-27(28(23)20-43)33(45)41-36-39-29-10-2-3-11-30(29)49-36/h2-13,16-17,19H,14-15,18,20H2,1H3,(H,46,47)(H,39,41,45)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
18 -44.2n/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))
BDBM209083
PNG
(US9266877, 29)
Show SMILES Cc1noc(n1)-c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Show InChI InChI=1S/C36H28N8O4S/c1-21-38-34(48-42-21)24-8-4-6-22(16-24)18-44-19-25(17-37-44)26-12-13-31(40-32(26)35(46)47)43-15-14-23-7-5-9-27(28(23)20-43)33(45)41-36-39-29-10-2-3-11-30(29)49-36/h2-13,16-17,19H,14-15,18,20H2,1H3,(H,46,47)(H,39,41,45)
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