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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P22262   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453142
PNG
(CHEMBL4216912)
Show SMILES CN(C)c1c2SCC(C(O)=O)n2c(=O)cc1Cc1ccc(C)c2ccccc12
Show InChI InChI=1S/C22H22N2O3S/c1-13-8-9-14(17-7-5-4-6-16(13)17)10-15-11-19(25)24-18(22(26)27)12-28-21(24)20(15)23(2)3/h4-9,11,18H,10,12H2,1-3H3,(H,26,27)
PDB

UniProtKB/SwissProt

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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453145
PNG
(CHEMBL4213989)
Show SMILES Cl.CN(C)c1c2SCC(C(O)=O)n2c(=O)cc1Cc1cccc2ccccc12
Show InChI InChI=1S/C21H20N2O3S.ClH/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23;/h3-9,11,17H,10,12H2,1-2H3,(H,25,26);1H
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453144
PNG
(CHEMBL4215787)
Show SMILES CN(C)c1c2SCC(C(O)=O)n2c(=O)cc1Cc1cccc(C)c1C
Show InChI InChI=1S/C19H22N2O3S/c1-11-6-5-7-13(12(11)2)8-14-9-16(22)21-15(19(23)24)10-25-18(21)17(14)20(3)4/h5-7,9,15H,8,10H2,1-4H3,(H,23,24)
PDB

UniProtKB/SwissProt

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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453146
PNG
(CHEMBL1204537)
Show SMILES OC(=O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12
Show InChI InChI=1S/C22H19NO3S/c24-19-11-16(10-15-6-3-5-13-4-1-2-7-17(13)15)20(14-8-9-14)21-23(19)18(12-27-21)22(25)26/h1-7,11,14,18H,8-10,12H2,(H,25,26)/t18-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453143
PNG
(CHEMBL4215684)
Show SMILES COc1c2SCC(C(O)=O)n2c(=O)cc1Cc1cccc2ccccc12
Show InChI InChI=1S/C20H17NO4S/c1-25-18-14(9-13-7-4-6-12-5-2-3-8-15(12)13)10-17(22)21-16(20(23)24)11-26-19(18)21/h2-8,10,16H,9,11H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

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PDB
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PDB
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n/an/a 6.56E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)