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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'X-linked inhibitor of apoptosis protein (XIAP)' and Ligand = 'BDBM44267'   
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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
700n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.12E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.90E+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/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.20E+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