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PubMed code 26740154

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Beta-galactosidase


(Escherichia coli)
BDBM50140062
PNG
(CHEMBL3359672)
Show SMILES Cc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H20N2O4/c1-8-2-4-9(5-3-8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


Article DOI: 10.1016/j.bmc.2015.12.034
BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50140061
PNG
(CHEMBL3752112)
Show SMILES Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1 |r,t:7|
Show InChI InChI=1S/C14H20N2O3/c1-9-2-4-10(5-3-9)7-15-13-6-12(18)14(19)11(8-17)16-13/h2-5,11-12,14,17-19H,6-8H2,1H3,(H,15,16)/t11-,12-,14+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


Article DOI: 10.1016/j.bmc.2015.12.034
BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50140059
PNG
(CHEMBL3753015)
Show SMILES CO[C@H]1[C@@H](CO)N=C(NCc2ccc(C)cc2)[C@H](O)[C@H]1O |r,t:6|
Show InChI InChI=1S/C15H22N2O4/c1-9-3-5-10(6-4-9)7-16-15-13(20)12(19)14(21-2)11(8-18)17-15/h3-6,11-14,18-20H,7-8H2,1-2H3,(H,16,17)/t11-,12-,13-,14+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


Article DOI: 10.1016/j.bmc.2015.12.034
BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50140060
PNG
(CHEMBL3754250)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N=C1NCc1ccc(C)cc1 |r,c:10|
Show InChI InChI=1S/C15H22N2O4/c1-9-3-5-10(6-4-9)7-16-15-14(21-2)13(20)12(19)11(8-18)17-15/h3-6,11-14,18-20H,7-8H2,1-2H3,(H,16,17)/t11-,12+,13+,14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...


Bioorg Med Chem 24: 661-71 (2016)


Article DOI: 10.1016/j.bmc.2015.12.034
BindingDB Entry DOI: 10.7270/Q20P11WZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%