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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 = 'BDBM209081'   
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))
BDBM209081
PNG
(US9266877, 27)
Show SMILES OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)nc1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H25N7O3S/c35-17-28-26(20-41(39-28)18-21-7-2-1-3-8-21)23-13-14-30(37-31(23)33(43)44)40-16-15-22-9-6-10-24(25(22)19-40)32(42)38-34-36-27-11-4-5-12-29(27)45-34/h1-14,20H,15-16,18-19H2,(H,43,44)(H,36,38,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
315 -37.1n/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))
BDBM209081
PNG
(US9266877, 27)
Show SMILES OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)nc1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H25N7O3S/c35-17-28-26(20-41(39-28)18-21-7-2-1-3-8-21)23-13-14-30(37-31(23)33(43)44)40-16-15-22-9-6-10-24(25(22)19-40)32(42)38-34-36-27-11-4-5-12-29(27)45-34/h1-14,20H,15-16,18-19H2,(H,43,44)(H,36,38,42)
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