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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptotic protease-activating factor 1' and Ligand = 'BDBM84004'   
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
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM84004
PNG
(3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispir...)
Show SMILES Oc1ccc(cc1)C1OCC2(CCCC3(COC(OC3)c3ccc(O)cc3)C2=O)CO1
Show InChI InChI=1S/C24H26O7/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21,25-26H,1,10-15H2
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.20E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29C6VXX
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM84004
PNG
(3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispir...)
Show SMILES Oc1ccc(cc1)C1OCC2(CCCC3(COC(OC3)c3ccc(O)cc3)C2=O)CO1
Show InChI InChI=1S/C24H26O7/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21,25-26H,1,10-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair