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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 = 'BDBM209235'   
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))
BDBM209235
PNG
(US9266877, 181)
Show SMILES CN(c1cccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C37H34N6O5S2/c1-42(50(47,48)24-10-3-2-4-11-24)31-15-8-12-25(28(31)21-38)26-17-18-33(40-34(26)36(45)46)43-20-19-23-9-7-13-27(29(23)22-43)35(44)41-37-39-30-14-5-6-16-32(30)49-37/h5-9,12-18,24H,2-4,10-11,19-20,22H2,1H3,(H,45,46)(H,39,41,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100<-57.1n/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))
BDBM209235
PNG
(US9266877, 181)
Show SMILES CN(c1cccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C37H34N6O5S2/c1-42(50(47,48)24-10-3-2-4-11-24)31-15-8-12-25(28(31)21-38)26-17-18-33(40-34(26)36(45)46)43-20-19-23-9-7-13-27(29(23)22-43)35(44)41-37-39-30-14-5-6-16-32(30)49-37/h5-9,12-18,24H,2-4,10-11,19-20,22H2,1H3,(H,45,46)(H,39,41,44)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 241n/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