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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 = 'BDBM209094'   
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))
BDBM209094
PNG
(US9266877, 40)
Show SMILES CN(C)CCOc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H35N7O4S/c1-42(2)18-19-48-31-12-5-3-8-25(31)21-44-22-26(20-38-44)27-14-15-33(40-34(27)36(46)47)43-17-16-24-9-7-10-28(29(24)23-43)35(45)41-37-39-30-11-4-6-13-32(30)49-37/h3-15,20,22H,16-19,21,23H2,1-2H3,(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
16 -44.5n/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))
BDBM209094
PNG
(US9266877, 40)
Show SMILES CN(C)CCOc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H35N7O4S/c1-42(2)18-19-48-31-12-5-3-8-25(31)21-44-22-26(20-38-44)27-14-15-33(40-34(27)36(46)47)43-17-16-24-9-7-10-28(29(24)23-43)35(45)41-37-39-30-11-4-6-13-32(30)49-37/h3-15,20,22H,16-19,21,23H2,1-2H3,(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 570n/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