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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Outer membrane protein MIP'   
Target
(Institution)
LigandTarget
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
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335225
PNG
((S)-1-Phenylmethanesulfonyl-piperidine-2-carboxyli...)
Show SMILES COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C25H33NO7S/c1-30-22-16-20(17-23(31-2)24(22)32-3)12-9-15-33-25(27)21-13-7-8-14-26(21)34(28,29)18-19-10-5-4-6-11-19/h4-6,10-11,16-17,21H,7-9,12-15,18H2,1-3H3/t21-/m0/s1
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335224
PNG
(CHEMBL1650946 | rac-3-(3,4,5-trimethoxyphenyl)prop...)
Show SMILES COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C25H33NO7S/c1-30-22-16-20(17-23(31-2)24(22)32-3)12-9-15-33-25(27)21-13-7-8-14-26(21)34(28,29)18-19-10-5-4-6-11-19/h4-6,10-11,16-17,21H,7-9,12-15,18H2,1-3H3
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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335226
PNG
(3-(3,4,5-trimethoxyphenyl)propyl 1-(phenylsulfonyl...)
Show SMILES COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C24H31NO7S/c1-29-21-16-18(17-22(30-2)23(21)31-3)10-9-15-32-24(26)20-13-7-8-14-25(20)33(27,28)19-11-5-4-6-12-19/h4-6,11-12,16-17,20H,7-10,13-15H2,1-3H3
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PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335227
PNG
(3-(pyridin-3-yl)propyl 1-(3-nitrophenylsulfonyl)pi...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1cccnc1
Show InChI InChI=1S/C20H23N3O6S/c24-20(29-13-5-7-16-6-4-11-21-15-16)19-10-1-2-12-22(19)30(27,28)18-9-3-8-17(14-18)23(25)26/h3-4,6,8-9,11,14-15,19H,1-2,5,7,10,12-13H2
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335219
PNG
(CHEMBL1650803 | Ethyl 1-(Benzylsulfonyl)piperidine...)
Show SMILES CCOC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C15H21NO4S/c1-2-20-15(17)14-10-6-7-11-16(14)21(18,19)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
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PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335223
PNG
(3-(3,4,5-trimethoxyphenyl)propyl 1-(3-methyl-2-oxo...)
Show SMILES CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H35NO7/c1-6-16(2)21(26)23(27)25-12-8-7-11-18(25)24(28)32-13-9-10-17-14-19(29-3)22(31-5)20(15-17)30-4/h14-16,18H,6-13H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335230
PNG
(3-(3,4,5-trimethoxyphenyl)propyl 1-(3-aminophenyls...)
Show SMILES COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(N)c2)cc(OC)c1OC
Show InChI InChI=1S/C24H32N2O7S/c1-30-21-14-17(15-22(31-2)23(21)32-3)8-7-13-33-24(27)20-11-4-5-12-26(20)34(28,29)19-10-6-9-18(25)16-19/h6,9-10,14-16,20H,4-5,7-8,11-13,25H2,1-3H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335228
PNG
(3-(3,4,5-trimethoxyphenyl)propyl 1-(3-nitrophenyls...)
Show SMILES COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C24H30N2O9S/c1-32-21-14-17(15-22(33-2)23(21)34-3)8-7-13-35-24(27)20-11-4-5-12-25(20)36(30,31)19-10-6-9-18(16-19)26(28)29/h6,9-10,14-16,20H,4-5,7-8,11-13H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335229
PNG
(3-(pyridin-3-yl)propyl 1-(3-aminophenylsulfonyl)pi...)
Show SMILES Nc1cccc(c1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1cccnc1
Show InChI InChI=1S/C20H25N3O4S/c21-17-8-3-9-18(14-17)28(25,26)23-12-2-1-10-19(23)20(24)27-13-5-7-16-6-4-11-22-15-16/h3-4,6,8-9,11,14-15,19H,1-2,5,7,10,12-13,21H2
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335222
PNG
(1,3-diphenylpropyl 1-(3-methyl-2-oxopentanoyl)pipe...)
Show SMILES CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H33NO4/c1-3-20(2)25(29)26(30)28-19-11-10-16-23(28)27(31)32-24(22-14-8-5-9-15-22)18-17-21-12-6-4-7-13-21/h4-9,12-15,20,23-24H,3,10-11,16-19H2,1-2H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335221
PNG
(CHEMBL1650805 | ethyl 1-(3-nitrophenylsulfonyl)pip...)
Show SMILES CCOC(=O)C1CCCCN1S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H18N2O6S/c1-2-22-14(17)13-8-3-4-9-15(13)23(20,21)12-7-5-6-11(10-12)16(18)19/h5-7,10,13H,2-4,8-9H2,1H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335220
PNG
(CHEMBL1650804 | ethyl 1-(phenylsulfonyl)piperidine...)
Show SMILES CCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H19NO4S/c1-2-19-14(16)13-10-6-7-11-15(13)20(17,18)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335218
PNG
(CHEMBL1650802 | ethyl 1-(3-methyl-2-oxopentanoyl)p...)
Show SMILES CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)CC
Show InChI InChI=1S/C14H23NO4/c1-4-10(3)12(16)13(17)15-9-7-6-8-11(15)14(18)19-5-2/h10-11H,4-9H2,1-3H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair