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PDB code 3F7I

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]

  (133/133 = 100%)
(Homo sapiens (Human))
BDBM27919
PNG
(Azabicyclooctane scaffold, 14b | N-[(3aR,6S,6aS)-1...)
Show SMILES [H][C@]12CC[C@H](NC(=O)c3cccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
Show InChI InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1
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PDB
Article
PubMed
46 -41.5n/an/an/an/an/a7.222



Genentech, Inc.



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


J Med Chem 52: 1723-30 (2009)


Article DOI: 10.1021/jm801450c
BindingDB Entry DOI: 10.7270/Q2WH2N9H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output