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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.5
BDBM155992

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM155992
PNG
(US9018214, 43)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ccc(cc23)S(=O)(=O)c2ccccc2)CCN1 |r|
Show InChI InChI=1S/C23H29N3O3S/c1-17-14-25(12-11-24-17)15-22(27)26-16-23(2,3)20-10-9-19(13-21(20)26)30(28,29)18-7-5-4-6-8-18/h4-10,13,17,24H,11-12,14-16H2,1-3H3/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 450n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...


US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM155992
PNG
(US9018214, 43)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ccc(cc23)S(=O)(=O)c2ccccc2)CCN1 |r|
Show InChI InChI=1S/C23H29N3O3S/c1-17-14-25(12-11-24-17)15-22(27)26-16-23(2,3)20-10-9-19(13-21(20)26)30(28,29)18-7-5-4-6-8-18/h4-10,13,17,24H,11-12,14-16H2,1-3H3/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 640n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...


US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair