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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7710   
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
3-Hydroxybenzoate 6-hydroxylase (3HB6H)


(Rhodococcus jostii RHA1)
BDBM50336491
PNG
(3-Hydroxy-benzoic acid | 3-Hydroxybenzoate | 3-Hyd...)
Show SMILES OC(=O)c1cccc(O)c1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
PDB

UniProtKB/TrEMBL

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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 4.80E+4n/an/an/a8.0n/a



Wageningen University



Assay Description
The interaction of 3HB6H (25 uM) with substrate analogs was studied in 50 mM Tris-SO4 (pH 8.0). Dissociation constants (Kd) of enzyme-substrate compl...


J Biol Chem 288: 26235-45 (2013)


Article DOI: 10.1074/jbc.M113.479303
BindingDB Entry DOI: 10.7270/Q2X34W9B
More data for this
Ligand-Target Pair
3-Hydroxybenzoate 6-hydroxylase (3HB6H H213A)


(Rhodococcus jostii RHA1)
BDBM50336491
PNG
(3-Hydroxy-benzoic acid | 3-Hydroxybenzoate | 3-Hyd...)
Show SMILES OC(=O)c1cccc(O)c1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
PDB

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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 6.10E+4n/an/an/a8.0n/a



Wageningen University



Assay Description
The interaction of 3HB6H (25 uM) with substrate analogs was studied in 50 mM Tris-SO4 (pH 8.0). Dissociation constants (Kd) of enzyme-substrate compl...


J Biol Chem 288: 26235-45 (2013)


Article DOI: 10.1074/jbc.M113.479303
BindingDB Entry DOI: 10.7270/Q2X34W9B
More data for this
Ligand-Target Pair
3-Hydroxybenzoate 6-hydroxylase (3HB6H Y105F)


(Rhodococcus jostii RHA1)
BDBM50336491
PNG
(3-Hydroxy-benzoic acid | 3-Hydroxybenzoate | 3-Hyd...)
Show SMILES OC(=O)c1cccc(O)c1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 6.44E+5n/an/an/a8.0n/a



Wageningen University



Assay Description
The interaction of 3HB6H (25 uM) with substrate analogs was studied in 50 mM Tris-SO4 (pH 8.0). Dissociation constants (Kd) of enzyme-substrate compl...


J Biol Chem 288: 26235-45 (2013)


Article DOI: 10.1074/jbc.M113.479303
BindingDB Entry DOI: 10.7270/Q2X34W9B
More data for this
Ligand-Target Pair