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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'ahumedo' and Initial = 'm'   
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
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50300132
PNG
(CHEMBL584972 | N-heptanoyl-L-homoserine lactone)
Show SMILES CCCCCCC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium tumefaciens TraR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50300131
PNG
(CHEMBL575294 | N-(4-bromophenylacetanoyl)-L-homose...)
Show SMILES Brc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
Show InChI InChI=1S/C12H12BrNO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium tumefaciens TraR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50248862
PNG
(CHEMBL473592 | N-(3-oxo-3-phenylpropanoyl)-L-homos...)
Show SMILES O=C(CC(=O)N[C@H]1CCOC1=O)Cc1ccccc1
Show InChI InChI=1S/C14H15NO4/c16-11(8-10-4-2-1-3-5-10)9-13(17)15-12-6-7-19-14(12)18/h1-5,12H,6-9H2,(H,15,17)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium tumefaciens TraR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50300130
PNG
(CHEMBL573745 | N-(2-cyclopentene-1-acetanoyl)-L-ho...)
Show SMILES O=C(CC1CCC=C1)N[C@H]1CCOC1=O
Show InChI InChI=1S/C11H15NO3/c13-10(7-8-3-1-2-4-8)12-9-5-6-15-11(9)14/h1,3,8-9H,2,4-7H2,(H,12,13)/t8?,9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium tumefaciens TraR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50300133
PNG
(CHEMBL573744 | N-(indole-3-butanoyl)-L-homoserine ...)
Show SMILES O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O
Show InChI InChI=1S/C16H18N2O3/c19-15(18-14-8-9-21-16(14)20)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium tumefaciens TraR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300133
PNG
(CHEMBL573744 | N-(indole-3-butanoyl)-L-homoserine ...)
Show SMILES O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O
Show InChI InChI=1S/C16H18N2O3/c19-15(18-14-8-9-21-16(14)20)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.48E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300131
PNG
(CHEMBL575294 | N-(4-bromophenylacetanoyl)-L-homose...)
Show SMILES Brc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
Show InChI InChI=1S/C12H12BrNO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.61E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300130
PNG
(CHEMBL573745 | N-(2-cyclopentene-1-acetanoyl)-L-ho...)
Show SMILES O=C(CC1CCC=C1)N[C@H]1CCOC1=O
Show InChI InChI=1S/C11H15NO3/c13-10(7-8-3-1-2-4-8)12-9-5-6-15-11(9)14/h1,3,8-9H,2,4-7H2,(H,12,13)/t8?,9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.31E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50300132
PNG
(CHEMBL584972 | N-heptanoyl-L-homoserine lactone)
Show SMILES CCCCCCC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.15E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50248862
PNG
(CHEMBL473592 | N-(3-oxo-3-phenylpropanoyl)-L-homos...)
Show SMILES O=C(CC(=O)N[C@H]1CCOC1=O)Cc1ccccc1
Show InChI InChI=1S/C14H15NO4/c16-11(8-10-4-2-1-3-5-10)9-13(17)15-12-6-7-19-14(12)18/h1-5,12H,6-9H2,(H,15,17)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 5.36E+4n/an/an/an/an/an/a



Universidad de Cartagena-Facultad de Ciencias Exactas y

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Eur J Med Chem 45: 608-15 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.004
BindingDB Entry DOI: 10.7270/Q2ZC83SP
More data for this
Ligand-Target Pair