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PubMed code 29271657

Compile data set for download or QSAR
Found 7 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-lactamase TEM


(Escherichia coli)
BDBM50247467
PNG
(CHEMBL4083640)
Show SMILES OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H10Cl2O2S/c15-12-3-1-2-10(13(12)16)8-4-5-11(14(17)18)9(6-8)7-19/h1-6,19H,7H2,(H,17,18)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged bacterial Escherichia coli TEM-1 (24 to 286 residues) expressed in Escherichia coli BL21 (DE3) cells ...


J Med Chem 61: 1255-1260 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01728
BindingDB Entry DOI: 10.7270/Q2GQ716Z
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50247459
PNG
(CHEMBL4065946)
Show SMILES OC(=O)c1ccc(cc1CS)-c1ccc(F)cc1
Show InChI InChI=1S/C14H11FO2S/c15-12-4-1-9(2-5-12)10-3-6-13(14(16)17)11(7-10)8-18/h1-7,18H,8H2,(H,16,17)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.28E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged bacterial Escherichia coli TEM-1 (24 to 286 residues) expressed in Escherichia coli BL21 (DE3) cells ...


J Med Chem 61: 1255-1260 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01728
BindingDB Entry DOI: 10.7270/Q2GQ716Z
More data for this
Ligand-Target Pair
Beta-lactamase OXA-10


(Pseudomonas aeruginosa)
BDBM50247467
PNG
(CHEMBL4083640)
Show SMILES OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H10Cl2O2S/c15-12-3-1-2-10(13(12)16)8-4-5-11(14(17)18)9(6-8)7-19/h1-6,19H,7H2,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.73E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pseudomonas aeruginosa OXA-10 expressed in Escherichia coli BL21 (DE3) cells using FC5 as substrate preincubated up to 360 ...


J Med Chem 61: 1255-1260 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01728
BindingDB Entry DOI: 10.7270/Q2GQ716Z
More data for this
Ligand-Target Pair
5' exonuclease Apollo


(Homo sapiens)
BDBM50247468
PNG
(CHEMBL4076158)
Show SMILES OC(=O)c1ccc(cc1CS)-c1ccccc1
Show InChI InChI=1S/C14H12O2S/c15-14(16)13-7-6-11(8-12(13)9-17)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.49E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human DCLRE1B


J Med Chem 61: 1255-1260 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01728
BindingDB Entry DOI: 10.7270/Q2GQ716Z
More data for this
Ligand-Target Pair
5' exonuclease Apollo


(Homo sapiens)
BDBM50247470
PNG
(CHEMBL4088063)
Show SMILES OC(=O)c1ccc(cc1CS)-c1cccc(F)c1
Show InChI InChI=1S/C14H11FO2S/c15-12-3-1-2-9(7-12)10-4-5-13(14(16)17)11(6-10)8-18/h1-7,18H,8H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.85E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human DCLRE1B


J Med Chem 61: 1255-1260 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01728
BindingDB Entry DOI: 10.7270/Q2GQ716Z
More data for this
Ligand-Target Pair
DNA cross-link repair 1A protein


(Homo sapiens)
BDBM50247468
PNG
(CHEMBL4076158)
Show SMILES OC(=O)c1ccc(cc1CS)-c1ccccc1
Show InChI InChI=1S/C14H12O2S/c15-14(16)13-7-6-11(8-12(13)9-17)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.47E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human DCLRE1A


J Med Chem 61: 1255-1260 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01728
BindingDB Entry DOI: 10.7270/Q2GQ716Z
More data for this
Ligand-Target Pair
5' exonuclease Apollo


(Homo sapiens)
BDBM50247469
PNG
(CHEMBL4092378)
Show SMILES OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClO2S/c15-12-3-1-2-9(7-12)10-4-5-13(14(16)17)11(6-10)8-18/h1-7,18H,8H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.68E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human DCLRE1B


J Med Chem 61: 1255-1260 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01728
BindingDB Entry DOI: 10.7270/Q2GQ716Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%