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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 44286   
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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM44286
PNG
((2S)-N-[(1S)-2-keto-1-methyl-2-(1-naphthylamino)et...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H30N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-15,19,23H,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 3.70E+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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM44286
PNG
((2S)-N-[(1S)-2-keto-1-methyl-2-(1-naphthylamino)et...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H30N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-15,19,23H,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 4.62E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2QJ7FS0
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM44286
PNG
((2S)-N-[(1S)-2-keto-1-methyl-2-(1-naphthylamino)et...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H30N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-15,19,23H,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 1.37E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2KS6Q17
More data for this
Ligand-Target Pair