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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 = 'BDBM50348191'   
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))
BDBM50348191
PNG
(CHEMBL1800335)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H40N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-4,6-9,13-16,21,24-27,31H,5,10-12,17-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
660n/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))
BDBM50348191
PNG
(CHEMBL1800335)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H40N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-4,6-9,13-16,21,24-27,31H,5,10-12,17-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.58E+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