BindingDB logo
myBDB logout

PubMed code 21087868

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM50334671
PNG
(CHEMBL1642586 | kaempferol-3-O-alpha-L-(2'', 4''-d...)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1 |r,w:44.48,29.31|
Show InChI InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-43,47-48H,1H3/t20-,34+,35-,38+,39-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.04E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from XIAP linker BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 19: 1002-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.046
BindingDB Entry DOI: 10.7270/Q2Q240H2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from XIAP linker BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 19: 1002-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.046
BindingDB Entry DOI: 10.7270/Q2Q240H2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50213414
PNG
(CHEMBL240528 | afzelin | kaempferol 3-O-alpha-L-rh...)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-23,25-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of fluorescent SM5F peptide from XIAP linker BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 19: 1002-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.046
BindingDB Entry DOI: 10.7270/Q2Q240H2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%