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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 = 'BDBM209104'   
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))
BDBM209104
PNG
(US9266877, 50)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(CC2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C32H30N6O4S/c39-30(36-32-34-26-6-1-2-7-27(26)43-32)24-5-3-4-21-10-13-37(19-25(21)24)28-9-8-23(29(35-28)31(40)41)22-16-33-38(18-22)17-20-11-14-42-15-12-20/h1-9,16,18,20H,10-15,17,19H2,(H,40,41)(H,34,36,39)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
99 -40.0n/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))
BDBM209104
PNG
(US9266877, 50)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(CC2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C32H30N6O4S/c39-30(36-32-34-26-6-1-2-7-27(26)43-32)24-5-3-4-21-10-13-37(19-25(21)24)28-9-8-23(29(35-28)31(40)41)22-16-33-38(18-22)17-20-11-14-42-15-12-20/h1-9,16,18,20H,10-15,17,19H2,(H,40,41)(H,34,36,39)
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