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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50364486'   
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))
BDBM50364486
PNG
(CHEMBL1949685)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 |r|
Show InChI InChI=1S/C25H40N4O2/c1-19(26-2)24(30)28-23(21-12-7-4-8-13-21)25(31)27-22-14-9-16-29(18-22)17-15-20-10-5-3-6-11-20/h3,5-6,10-11,19,21-23,26H,4,7-9,12-18H2,1-2H3,(H,27,31)(H,28,30)/t19-,22-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1690-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50364486
PNG
(CHEMBL1949685)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 |r|
Show InChI InChI=1S/C25H40N4O2/c1-19(26-2)24(30)28-23(21-12-7-4-8-13-21)25(31)27-22-14-9-16-29(18-22)17-15-20-10-5-3-6-11-20/h3,5-6,10-11,19,21-23,26H,4,7-9,12-18H2,1-2H3,(H,27,31)(H,28,30)/t19-,22-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 113n/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Antagonist activity at cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA


Bioorg Med Chem Lett 22: 1690-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG
More data for this
Ligand-Target Pair