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SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(C)(C)C

InChI Key: InChIKey=AYWNCKNJOIZDHZ-FFZOFVMBSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364499   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50364499
PNG
(CHEMBL1950851)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(C)(C)C |r|
Show InChI InChI=1S/C23H37FN4O2/c1-16(25-5)21(29)27-20(23(2,3)4)22(30)26-19-7-6-13-28(15-19)14-12-17-8-10-18(24)11-9-17/h8-11,16,19-20,25H,6-7,12-15H2,1-5H3,(H,26,30)(H,27,29)/t16-,19-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 20n/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))
BDBM50364499
PNG
(CHEMBL1950851)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(C)(C)C |r|
Show InChI InChI=1S/C23H37FN4O2/c1-16(25-5)21(29)27-20(23(2,3)4)22(30)26-19-7-6-13-28(15-19)14-12-17-8-10-18(24)11-9-17/h8-11,16,19-20,25H,6-7,12-15H2,1-5H3,(H,26,30)(H,27,29)/t16-,19-,20+/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 60n/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