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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 = 'BDBM209102'   
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))
BDBM209102
PNG
(US9266877, 48)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccncc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H31N7O4S/c47-37(44-39-42-32-9-2-4-11-34(32)51-39)30-8-5-7-26-16-19-45(23-31(26)30)35-13-12-29(36(43-35)38(48)49)28-20-41-46(22-28)21-27-6-1-3-10-33(27)50-24-25-14-17-40-18-15-25/h1-15,17-18,20,22H,16,19,21,23-24H2,(H,48,49)(H,42,44,47)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
7 -46.5n/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))
BDBM209102
PNG
(US9266877, 48)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccncc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H31N7O4S/c47-37(44-39-42-32-9-2-4-11-34(32)51-39)30-8-5-7-26-16-19-45(23-31(26)30)35-13-12-29(36(43-35)38(48)49)28-20-41-46(22-28)21-27-6-1-3-10-33(27)50-24-25-14-17-40-18-15-25/h1-15,17-18,20,22H,16,19,21,23-24H2,(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