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BDBM50351512 CHEMBL8483

SMILES: CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

InChI Key: InChIKey=PHSRRHGYXQCRPU-YQTOOIBONA-N

Data: 1 IC50  3 EC50

PDB links: 4 PDB IDs match this monomer.

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 4 hits for monomerid = 50351512   
Target
(Institution)
LigandTarget
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
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351512
PNG
(CHEMBL8483)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/s2
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
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Article
PubMed
n/an/an/an/a 7n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


J Med Chem 53: 7467-89 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50351512
PNG
(CHEMBL8483)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/s2
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

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

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AffyNet 
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PDB
Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR


ACS Med Chem Lett 6: 162-7 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50351512
PNG
(CHEMBL8483)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
DrugBank
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PC cid
PC sid
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UniChem

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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus RN6390B Agr-mediated RNA3 promoter activation measured up to 6 hrs by Northern blot analysis


J Med Chem 56: 1389-404 (2013)

More data for this
Ligand-Target Pair
PhzR


(Pseudomonas aeruginosa)
BDBM50351512
PNG
(CHEMBL8483)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r|
Show InChI InChI=1/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/s2
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as production of beta-galactosidase


Bioorg Med Chem Lett 18: 3072-5 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)