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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 = 'BDBM50364502'   
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))
BDBM50364502
PNG
(CHEMBL1950848)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2ccccc2F)C1 |r|
Show InChI InChI=1S/C25H39FN4O2/c1-18(27-2)24(31)29-23(20-10-4-3-5-11-20)25(32)28-21-12-8-15-30(17-21)16-14-19-9-6-7-13-22(19)26/h6-7,9,13,18,20-21,23,27H,3-5,8,10-12,14-17H2,1-2H3,(H,28,32)(H,29,31)/t18-,21-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 33n/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))
BDBM50364502
PNG
(CHEMBL1950848)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2ccccc2F)C1 |r|
Show InChI InChI=1S/C25H39FN4O2/c1-18(27-2)24(31)29-23(20-10-4-3-5-11-20)25(32)28-21-12-8-15-30(17-21)16-14-19-9-6-7-13-22(19)26/h6-7,9,13,18,20-21,23,27H,3-5,8,10-12,14-17H2,1-2H3,(H,28,32)(H,29,31)/t18-,21-,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 104n/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