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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 = 'BDBM31385'   
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))
BDBM31385
PNG
(CHEMBL281240 | terephthalamide scaffold, 17)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H37N3O4/c1-13(2)11-20(23(29)30)25-21(27)18-10-9-17(12-19(18)24-14(3)4)22(28)26(15(5)6)16(7)8/h9-10,12-16,20,24H,11H2,1-8H3,(H,25,27)(H,29,30)/t20-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.31E+3 -31.3n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31385
PNG
(CHEMBL281240 | terephthalamide scaffold, 17)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H37N3O4/c1-13(2)11-20(23(29)30)25-21(27)18-10-9-17(12-19(18)24-14(3)4)22(28)26(15(5)6)16(7)8/h9-10,12-16,20,24H,11H2,1-8H3,(H,25,27)(H,29,30)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.31E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
More data for this
Ligand-Target Pair