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BDBM13158 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione::Embelin

SMILES: CCCCCCCCCC=Cc1c(O)c(O)cc(O)c1O

InChI Key: InChIKey=LEMOCKLYNMZOCJ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 13158   
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
XIAP-BIR3


(Homo sapiens (human))
BDBM13158
PNG
(2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dio...)
Show SMILES CCCCCCCCCC=Cc1c(O)c(O)cc(O)c1O
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h10-12,18-21H,2-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
400 -8.63n/an/an/an/an/a7.522



University of Michigan



Assay Description
A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...


Bioorg Med Chem Lett 16: 5805-8 (2006)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM13158
PNG
(2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dio...)
Show SMILES CCCCCCCCCC=Cc1c(O)c(O)cc(O)c1O
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h10-12,18-21H,2-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibiotry activity towards XIAP BIR3 protein


J Med Chem 47: 2430-40 (2004)

More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM13158
PNG
(2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dio...)
Show SMILES CCCCCCCCCC=Cc1c(O)c(O)cc(O)c1O
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h10-12,18-21H,2-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against XIAP BIR3 protein


J Med Chem 47: 2430-40 (2004)

More data for this
Ligand-Target Pair