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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-aminolevulinic acid dehydratase' and Ligand = 'BDBM50017195'   
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 /...)
BDBM50017195
PNG
(CHEMBL2430557)
Show SMILES OC(=O)c1c2CN(CCc2nc2ccccc12)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)13-5-3-4-12(10-13)19(27)26-9-8-17-15(11-26)18(20(28)29)14-6-1-2-7-16(14)25-17/h1-7,10H,8-9,11H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.75E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition 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
Delta-aminolevulinic acid dehydratase


(Drosophila melanogaster)
BDBM50017195
PNG
(CHEMBL2430557)
Show SMILES OC(=O)c1c2CN(CCc2nc2ccccc12)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)13-5-3-4-12(10-13)19(27)26-9-8-17-15(11-26)18(20(28)29)14-6-1-2-7-16(14)25-17/h1-7,10H,8-9,11H2,(H,28,29)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster 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