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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 50017185   
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
Delta-aminolevulinic acid dehydratase


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50017185
PNG
(CHEMBL3287361)
Show SMILES OC(=O)c1cccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc12
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-17-7-2-6-16(22(31)32)20(17)28-19(29)9-10-27-21(30)18-8-3-11-33-18/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.50E+4n/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Stimulation of Pseudomonas aeruginosa PAO1 recombinant PBGS using 5-ALA as substrate


J Med Chem 57: 2498-510 (2014)


Article DOI: 10.1021/jm401785n
BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Escherichia coli)
BDBM50017185
PNG
(CHEMBL3287361)
Show SMILES OC(=O)c1cccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc12
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-17-7-2-6-16(22(31)32)20(17)28-19(29)9-10-27-21(30)18-8-3-11-33-18/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90E+4n/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Stimulation of Escherichia coli recombinant PBGS using 5-ALA as substrate


J Med Chem 57: 2498-510 (2014)


Article DOI: 10.1021/jm401785n
BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
More data for this
Ligand-Target Pair
Delta-aminolevulinic acid dehydratase


(Yersinia enterocolitica W22703)
BDBM50017185
PNG
(CHEMBL3287361)
Show SMILES OC(=O)c1cccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc12
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-17-7-2-6-16(22(31)32)20(17)28-19(29)9-10-27-21(30)18-8-3-11-33-18/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30E+4n/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Stimulation of Yersinia enterocolitica recombinant PBGS expressed in Escherichia coli using 5-ALA as substrate


J Med Chem 57: 2498-510 (2014)


Article DOI: 10.1021/jm401785n
BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
More data for this
Ligand-Target Pair
Delta-aminolevulinic acid dehydratase


(Vibrio cholerae serotype O1 (strain M66-2))
BDBM50017185
PNG
(CHEMBL3287361)
Show SMILES OC(=O)c1cccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc12
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-17-7-2-6-16(22(31)32)20(17)28-19(29)9-10-27-21(30)18-8-3-11-33-18/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.80E+4n/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Stimulation of Vibrio cholerae recombinant PBGS expressed in Escherichia coli using 5-ALA as substrate


J Med Chem 57: 2498-510 (2014)


Article DOI: 10.1021/jm401785n
BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
More data for this
Ligand-Target Pair