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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'X-linked inhibitor of apoptosis protein (XIAP)' and Ligand = 'BDBM50436890'   
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))
BDBM50436890
PNG
(CHEMBL2401762)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C24H39N5O3/c1-15(2)21(29-22(30)16(3)26-4)24(32)28-20(13-8-14-25)23(31)27-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,26H,7-8,10,12-14,25H2,1-4H3,(H,27,31)(H,28,32)(H,29,30)/t16-,19+,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.13E+3n/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))
BDBM50436890
PNG
(CHEMBL2401762)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C24H39N5O3/c1-15(2)21(29-22(30)16(3)26-4)24(32)28-20(13-8-14-25)23(31)27-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,26H,7-8,10,12-14,25H2,1-4H3,(H,27,31)(H,28,32)(H,29,30)/t16-,19+,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.36E+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