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1 similar compounds to monomer 44327

Compile data set for download or QSAR
Wt: 554.6
BDBM44354

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44354   
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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44354
PNG
(MLS-0425210.0001 | benzyl N-[(5S)-5-[[(2S)-3-methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NNc1ccccc1
Show InChI InChI=1S/C29H42N6O5/c1-20(2)25(33-26(36)21(3)30-4)28(38)32-24(27(37)35-34-23-15-9-6-10-16-23)17-11-12-18-31-29(39)40-19-22-13-7-5-8-14-22/h5-10,13-16,20-21,24-25,30,34H,11-12,17-19H2,1-4H3,(H,31,39)(H,32,38)(H,33,36)(H,35,37)/t21-,24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.90E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44354
PNG
(MLS-0425210.0001 | benzyl N-[(5S)-5-[[(2S)-3-methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NNc1ccccc1
Show InChI InChI=1S/C29H42N6O5/c1-20(2)25(33-26(36)21(3)30-4)28(38)32-24(27(37)35-34-23-15-9-6-10-16-23)17-11-12-18-31-29(39)40-19-22-13-7-5-8-14-22/h5-10,13-16,20-21,24-25,30,34H,11-12,17-19H2,1-4H3,(H,31,39)(H,32,38)(H,33,36)(H,35,37)/t21-,24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair