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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 322.3
BDBM50251279
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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 3


(Homo sapiens (Human))
BDBM50251279
PNG
((S)-methyl 2-((2S,3R)-3-amino-2-hydroxy-4-phenylbu...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C17H26N2O4/c1-11(2)9-14(17(22)23-3)19-16(21)15(20)13(18)10-12-7-5-4-6-8-12/h4-8,11,13-15,20H,9-10,18H2,1-3H3,(H,19,21)/t13-,14+,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Degradation promoting activity of FLAG tagged cIAP1(unknown origin) expressed in human HT1080 cells after 3 hrs by western blotting analysis


Bioorg Med Chem Lett 18: 3354-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.031
BindingDB Entry DOI: 10.7270/Q21G0M1N
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50251279
PNG
((S)-methyl 2-((2S,3R)-3-amino-2-hydroxy-4-phenylbu...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C17H26N2O4/c1-11(2)9-14(17(22)23-3)19-16(21)15(20)13(18)10-12-7-5-4-6-8-12/h4-8,11,13-15,20H,9-10,18H2,1-3H3,(H,19,21)/t13-,14+,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Promotion of flag-tagged cIAP1 degradation in human HT1080 cells assessed as decrease in cIAPI production after 3 hrs


Bioorg Med Chem 16: 4685-98 (2008)


Article DOI: 10.1016/j.bmc.2008.02.024
BindingDB Entry DOI: 10.7270/Q2HQ3ZNR
More data for this
Ligand-Target Pair