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3 similar compounds to monomer 50436877

Compile data set for download or QSAR
Wt: 579.7
BDBM44329
Wt: 593.7
BDBM44350
Wt: 593.7
BDBM50436875

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 44329,44350,50436875   
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))
BDBM50436875
PNG
(CHEMBL2401761)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C33H47N5O5/c1-22(2)29(38-30(39)23(3)34-4)32(41)37-28(31(40)36-27-19-12-16-25-15-8-9-17-26(25)27)18-10-11-20-35-33(42)43-21-24-13-6-5-7-14-24/h5-9,13-15,17,22-23,27-29,34H,10-12,16,18-21H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)(H,38,39)/t23-,27+,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
670n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436875
PNG
(CHEMBL2401761)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C33H47N5O5/c1-22(2)29(38-30(39)23(3)34-4)32(41)37-28(31(40)36-27-19-12-16-25-15-8-9-17-26(25)27)18-10-11-20-35-33(42)43-21-24-13-6-5-7-14-24/h5-9,13-15,17,22-23,27-29,34H,10-12,16,18-21H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)(H,38,39)/t23-,27+,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.30E+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 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44350
PNG
(MLS-0425206.0001 | 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)NC1CCCc2ccccc12
Show InChI InChI=1S/C33H47N5O5/c1-22(2)29(38-30(39)23(3)34-4)32(41)37-28(31(40)36-27-19-12-16-25-15-8-9-17-26(25)27)18-10-11-20-35-33(42)43-21-24-13-6-5-7-14-24/h5-9,13-15,17,22-23,27-29,34H,10-12,16,18-21H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)(H,38,39)/t23-,27?,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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))
BDBM44350
PNG
(MLS-0425206.0001 | 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)NC1CCCc2ccccc12
Show InChI InChI=1S/C33H47N5O5/c1-22(2)29(38-30(39)23(3)34-4)32(41)37-28(31(40)36-27-19-12-16-25-15-8-9-17-26(25)27)18-10-11-20-35-33(42)43-21-24-13-6-5-7-14-24/h5-9,13-15,17,22-23,27-29,34H,10-12,16,18-21H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)(H,38,39)/t23-,27?,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.30E+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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44329
PNG
(MLS-0412178.0001 | benzyl N-[(4S)-4-[[(2S)-3-methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C32H45N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-9,12-14,16,21-22,26-28,33H,10-11,15,17-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,26?,27-,28-/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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44329
PNG
(MLS-0412178.0001 | benzyl N-[(4S)-4-[[(2S)-3-methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C32H45N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-9,12-14,16,21-22,26-28,33H,10-11,15,17-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,26?,27-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.50E+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/Q29W0CWK
More data for this
Ligand-Target Pair