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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 = 'BDBM209103'   
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))
BDBM209103
PNG
(US9266877, 49)
Show SMILES CN(C)CCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H37N7O4S/c1-24-29(21-39-45(24)22-26-9-4-6-13-32(26)49-20-19-43(2)3)27-15-16-34(41-35(27)37(47)48)44-18-17-25-10-8-11-28(30(25)23-44)36(46)42-38-40-31-12-5-7-14-33(31)50-38/h4-16,21H,17-20,22-23H2,1-3H3,(H,47,48)(H,40,42,46)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.600 -52.6n/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))
BDBM209103
PNG
(US9266877, 49)
Show SMILES CN(C)CCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H37N7O4S/c1-24-29(21-39-45(24)22-26-9-4-6-13-32(26)49-20-19-43(2)3)27-15-16-34(41-35(27)37(47)48)44-18-17-25-10-8-11-28(30(25)23-44)36(46)42-38-40-31-12-5-7-14-33(31)50-38/h4-16,21H,17-20,22-23H2,1-3H3,(H,47,48)(H,40,42,46)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 12n/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