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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 = 'BDBM209085'   
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))
BDBM209085
PNG
(US9266877, 31)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H32N6O4S/c47-38(44-40-42-33-14-5-7-16-35(33)51-40)31-13-8-12-27-19-20-45(24-32(27)31)36-18-17-30(37(43-36)39(48)49)29-21-41-46(23-29)22-28-11-4-6-15-34(28)50-25-26-9-2-1-3-10-26/h1-18,21,23H,19-20,22,24-25H2,(H,48,49)(H,42,44,47)
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))
BDBM209085
PNG
(US9266877, 31)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H32N6O4S/c47-38(44-40-42-33-14-5-7-16-35(33)51-40)31-13-8-12-27-19-20-45(24-32(27)31)36-18-17-30(37(43-36)39(48)49)29-21-41-46(23-29)22-28-11-4-6-15-34(28)50-25-26-9-2-1-3-10-26/h1-18,21,23H,19-20,22,24-25H2,(H,48,49)(H,42,44,47)
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