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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.0
BDBM50388973

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
Max-like protein X


(Homo sapiens (Human))
BDBM50388973
PNG
(CHEMBL2063867)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H35ClN4O3/c1-16(26-2)22(30)28-21(18-7-4-3-5-8-18)24(32)29-14-6-9-20(29)23(31)27-15-17-10-12-19(25)13-11-17/h10-13,16,18,20-21,26H,3-9,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50388973
PNG
(CHEMBL2063867)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H35ClN4O3/c1-16(26-2)22(30)28-21(18-7-4-3-5-8-18)24(32)29-14-6-9-20(29)23(31)27-15-17-10-12-19(25)13-11-17/h10-13,16,18,20-21,26H,3-9,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair