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BDBM50215899 CHEMBL250711::N-oleoyl-dopamine::Oleoyl dopamine::cid_5282106

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1

InChI Key: InChIKey=QQBPLXNESPTPNU-KTKRTIGZSA-N

Data: 1 KI  1 IC50  1 EC50

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 = 50215899   
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
Antrax lethal toxin


(Bacillus anthracis)
BDBM50215899
PNG
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
PDB
MMDB

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50215899
PNG
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
PDB
MMDB

NCI pathway
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KEGG

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UniProtKB/TrEMBL

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM50215899
PNG
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
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antibodypedia
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KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 8.06E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair