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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'X-linked inhibitor of apoptosis protein (XIAP)' and Ligand = 'BDBM43781'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM43781
PNG
(2-(4-fluorophenyl)-2-(1-ketoisoindolin-2-yl)acetic...)
Show SMILES OC(=O)C(N1Cc2ccccc2C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H12FNO3/c17-12-7-5-10(6-8-12)14(16(20)21)18-9-11-3-1-2-4-13(11)15(18)19/h1-8,14H,9H2,(H,20,21)
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PC cid
PC sid
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n/an/a>2.00E+5n/an/an/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 (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2610XRV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM43781
PNG
(2-(4-fluorophenyl)-2-(1-ketoisoindolin-2-yl)acetic...)
Show SMILES OC(=O)C(N1Cc2ccccc2C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H12FNO3/c17-12-7-5-10(6-8-12)14(16(20)21)18-9-11-3-1-2-4-13(11)15(18)19/h1-8,14H,9H2,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+5n/an/an/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 (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q24B2ZPM
More data for this
Ligand-Target Pair