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Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'hauck' and Initial = 'd'   
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
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505620
PNG
(CHEMBL4550640)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H21NO6S2/c1-12-17(21)19(23)18(22)15(26-12)11-20-28(24,25)16-10-9-14(27-16)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15,17-23H,11H2,1H3/t12-,15+,17+,18+,19+/m0/s1
PDB
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n/an/a 140n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505626
PNG
(CHEMBL4461208)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2sccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H19NO6S2/c1-6-3-4-20-12(6)21(17,18)13-5-8-10(15)11(16)9(14)7(2)19-8/h3-4,7-11,13-16H,5H2,1-2H3/t7-,8+,9+,10+,11+/m0/s1
PDB
MMDB

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n/an/a 200n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed PBR322 plasmid DNA as substrate incubated for 30 mins by ethidium bromide staining based agar...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00856
BindingDB Entry DOI: 10.7270/Q2FT8QN5
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505608
PNG
(CHEMBL4451868)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H23NO6S2/c1-12-5-3-4-6-14(12)7-8-15-9-10-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-6,9-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505617
PNG
(CHEMBL1234282)
Show SMILES CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
PDB
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n/an/a 270n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505596
PNG
(CHEMBL4439075)
Show SMILES COc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H23NO7S2/c1-12-18(22)20(24)19(23)16(28-12)11-21-30(25,26)17-10-9-15(29-17)8-5-13-3-6-14(27-2)7-4-13/h3-4,6-7,9-10,12,16,18-24H,11H2,1-2H3/t12-,16+,18+,19+,20+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505597
PNG
(CHEMBL4473234)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccc(cc2)C2CC2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H25NO6S2/c1-13-20(24)22(26)21(25)18(29-13)12-23-31(27,28)19-11-10-17(30-19)9-4-14-2-5-15(6-3-14)16-7-8-16/h2-3,5-6,10-11,13,16,18,20-26H,7-8,12H2,1H3/t13-,18+,20+,21+,22+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505595
PNG
(CHEMBL4451796)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2cccc(C)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H23NO6S2/c1-12-4-3-5-14(10-12)6-7-15-8-9-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-5,8-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1
PDB
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n/an/a 300n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505610
PNG
(CHEMBL4461092)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#CC(C)(C)O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H23NO7S2/c1-9-13(18)15(20)14(19)11(24-9)8-17-26(22,23)12-5-4-10(25-12)6-7-16(2,3)21/h4-5,9,11,13-15,17-21H,8H2,1-3H3/t9-,11+,13+,14+,15+/m0/s1
PDB
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KEGG

UniProtKB/TrEMBL

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n/an/a 310n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505606
PNG
(CHEMBL4551638)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)cs2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H19NO6S2/c1-6-3-9(20-5-6)21(17,18)13-4-8-11(15)12(16)10(14)7(2)19-8/h3,5,7-8,10-16H,4H2,1-2H3/t7-,8+,10+,11+,12+/m0/s1
PDB
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KEGG

UniProtKB/TrEMBL

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n/an/a 320n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505604
PNG
(CHEMBL4574479)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)sc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H21NO6S2/c1-6-4-10(8(3)21-6)22(18,19)14-5-9-12(16)13(17)11(15)7(2)20-9/h4,7,9,11-17H,5H2,1-3H3/t7-,9+,11+,12+,13+/m0/s1
PDB
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KEGG

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n/an/a 330n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505618
PNG
(CHEMBL4462845)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)oc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H21NO7S/c1-6-4-10(7(2)20-6)22(18,19)14-5-9-12(16)13(17)11(15)8(3)21-9/h4,8-9,11-17H,5H2,1-3H3/t8-,9+,11+,12+,13+/m0/s1
PDB
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KEGG

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n/an/a 330n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505593
PNG
(CHEMBL4453855)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H25NO6S/c1-8-5-9(2)16(10(3)6-8)24(21,22)17-7-12-14(19)15(20)13(18)11(4)23-12/h5-6,11-15,17-20H,7H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1
PDB
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KEGG

UniProtKB/TrEMBL

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UniChem
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n/an/a 340n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505609
PNG
(CHEMBL4526041)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H23NO6S2/c1-12-3-5-14(6-4-12)7-8-15-9-10-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-6,9-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1
PDB
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n/an/a 350n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505607
PNG
(CHEMBL4442247)
Show SMILES CCc1ccc(s1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H21NO6S2/c1-3-8-4-5-10(21-8)22(18,19)14-6-9-12(16)13(17)11(15)7(2)20-9/h4-5,7,9,11-17H,3,6H2,1-2H3/t7-,9+,11+,12+,13+/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505602
PNG
(CHEMBL4434928)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cnoc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H18N2O7S/c1-5-8(4-12-20-5)21(17,18)13-3-7-10(15)11(16)9(14)6(2)19-7/h4,6-7,9-11,13-16H,3H2,1-2H3/t6-,7+,9+,10+,11+/m0/s1
PDB
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KEGG

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n/an/a 380n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505598
PNG
(CHEMBL4560431)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#CCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H25NO6S2/c1-14-19(23)21(25)20(24)17(28-14)13-22-30(26,27)18-12-11-16(29-18)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,17,19-25H,5,9,13H2,1H3/t14-,17+,19+,20+,21+/m0/s1
PDB
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KEGG

UniProtKB/TrEMBL

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n/an/a 400n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505592
PNG
(CHEMBL4451328)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(\C=C/c3ccccc3)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H23NO6S2/c1-12-17(21)19(23)18(22)15(26-12)11-20-28(24,25)16-10-9-14(27-16)8-7-13-5-3-2-4-6-13/h2-10,12,15,17-23H,11H2,1H3/b8-7-/t12-,15+,17+,18+,19+/m0/s1
PDB
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KEGG

UniProtKB/TrEMBL

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PC sid
UniChem
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n/an/a 440n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505613
PNG
(CHEMBL4441817)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H17NO6S2/c1-6-9(13)11(15)10(14)7(18-6)5-12-20(16,17)8-3-2-4-19-8/h2-4,6-7,9-15H,5H2,1H3/t6-,7+,9+,10+,11+/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505588
PNG
(CHEMBL4457951)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)oc2C(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H18F3NO7S/c1-5-3-8(12(23-5)13(14,15)16)25(21,22)17-4-7-10(19)11(20)9(18)6(2)24-7/h3,6-7,9-11,17-20H,4H2,1-2H3/t6-,7+,9+,10+,11+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505601
PNG
(CHEMBL4442822)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccco2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H17NO7S/c1-6-9(13)11(15)10(14)7(19-6)5-12-20(16,17)8-3-2-4-18-8/h2-4,6-7,9-15H,5H2,1H3/t6-,7+,9+,10+,11+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505605
PNG
(CHEMBL4466447)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H19NO6S2/c1-6-3-4-9(20-6)21(17,18)13-5-8-11(15)12(16)10(14)7(2)19-8/h3-4,7-8,10-16H,5H2,1-2H3/t7-,8+,10+,11+,12+/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505591
PNG
(CHEMBL4459505)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Br)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H16BrNO6S2/c1-5-9(14)11(16)10(15)6(19-5)4-13-21(17,18)8-3-2-7(12)20-8/h2-3,5-6,9-11,13-16H,4H2,1H3/t5-,6+,9+,10+,11+/m0/s1
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n/an/a 570n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505624
PNG
(CHEMBL4593306)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccsc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H17NO6S2/c1-6-9(13)11(15)10(14)8(18-6)4-12-20(16,17)7-2-3-19-5-7/h2-3,5-6,8-15H,4H2,1H3/t6-,8+,9+,10+,11+/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505603
PNG
(CHEMBL4468528)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cn(C)nc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H21N3O6S/c1-6-9(5-15(3)14-6)22(19,20)13-4-8-11(17)12(18)10(16)7(2)21-8/h5,7-8,10-13,16-18H,4H2,1-3H3/t7-,8+,10+,11+,12+/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50548436
PNG
(CHEMBL4177464)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC#C)CC3)c(F)cc2c1=O
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n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed PBR322 plasmid DNA as substrate incubated for 30 mins by ethidium bromide staining based agar...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00856
BindingDB Entry DOI: 10.7270/Q2FT8QN5
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505590
PNG
(CHEMBL4585771)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccn(C)n2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H19N3O6S/c1-6-9(15)11(17)10(16)7(20-6)5-12-21(18,19)8-3-4-14(2)13-8/h3-4,6-7,9-12,15-17H,5H2,1-2H3/t6-,7+,9+,10+,11+/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505617
PNG
(CHEMBL1234282)
Show SMILES CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
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n/an/a 840n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 LecB after 6 hrs by fluorescence polarization assay

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50242419
PNG
(6-Deoxy-L-galactose | 6-deoxy-L-galactopyranoseL-f...)
Show SMILES C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505619
PNG
(CHEMBL4584039)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cnn(C)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H19N3O6S/c1-6-9(15)11(17)10(16)8(20-6)4-13-21(18,19)7-3-12-14(2)5-7/h3,5-6,8-11,13,15-17H,4H2,1-2H3/t6-,8+,9+,10+,11+/m0/s1
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n/an/a 960n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505593
PNG
(CHEMBL4453855)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H25NO6S/c1-8-5-9(2)16(10(3)6-8)24(21,22)17-7-12-14(19)15(20)13(18)11(4)23-12/h5-6,11-15,17-20H,7H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1
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n/an/a 970n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 LecB after 6 hrs by fluorescence polarization assay

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505589
PNG
(CHEMBL4514935)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(Cl)c(Cl)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H15Cl2NO6S2/c1-4-8(15)10(17)9(16)6(20-4)3-14-22(18,19)7-2-5(12)11(13)21-7/h2,4,6,8-10,14-17H,3H2,1H3/t4-,6+,8+,9+,10+/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505626
PNG
(CHEMBL4461208)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2sccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H19NO6S2/c1-6-3-4-20-12(6)21(17,18)13-5-8-10(15)11(16)9(14)7(2)19-8/h3-4,7-11,13-16H,5H2,1-2H3/t7-,8+,9+,10+,11+/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505620
PNG
(CHEMBL4550640)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H21NO6S2/c1-12-17(21)19(23)18(22)15(26-12)11-20-28(24,25)16-10-9-14(27-16)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15,17-23H,11H2,1H3/t12-,15+,17+,18+,19+/m0/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505608
PNG
(CHEMBL4451868)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H23NO6S2/c1-12-5-3-4-6-14(12)7-8-15-9-10-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-6,9-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505609
PNG
(CHEMBL4526041)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H23NO6S2/c1-12-3-5-14(6-4-12)7-8-15-9-10-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-6,9-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505595
PNG
(CHEMBL4451796)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2cccc(C)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H23NO6S2/c1-12-4-3-5-14(10-12)6-7-15-8-9-17(28-15)29(25,26)21-11-16-19(23)20(24)18(22)13(2)27-16/h3-5,8-10,13,16,18-24H,11H2,1-2H3/t13-,16+,18+,19+,20+/m0/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505596
PNG
(CHEMBL4439075)
Show SMILES COc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H23NO7S2/c1-12-18(22)20(24)19(23)16(28-12)11-21-30(25,26)17-10-9-15(29-17)8-5-13-3-6-14(27-2)7-4-13/h3-4,6-7,9-10,12,16,18-24H,11H2,1-2H3/t12-,16+,18+,19+,20+/m0/s1
PDB
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n/an/a 1.75E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505613
PNG
(CHEMBL4441817)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H17NO6S2/c1-6-9(13)11(15)10(14)7(18-6)5-12-20(16,17)8-3-2-4-19-8/h2-4,6-7,9-15H,5H2,1H3/t6-,7+,9+,10+,11+/m0/s1
PDB
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n/an/a 1.80E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 LecB after 6 hrs by fluorescence polarization assay

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505614
PNG
(CHEMBL4453100)
Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H17NO7S2/c1-18-11-10(15)9(14)8(13)6(19-11)5-12-21(16,17)7-3-2-4-20-7/h2-4,6,8-15H,5H2,1H3/t6-,8-,9+,10+,11+/m1/s1
PDB
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n/an/a 1.84E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505624
PNG
(CHEMBL4593306)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccsc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H17NO6S2/c1-6-9(13)11(15)10(14)8(18-6)4-12-20(16,17)7-2-3-19-5-7/h2-3,5-6,8-15H,4H2,1H3/t6-,8+,9+,10+,11+/m0/s1
PDB
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n/an/a 1.85E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505616
PNG
(CHEMBL3590172)
Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H25NO7S/c1-8-5-9(2)15(10(3)6-8)25(21,22)17-7-11-12(18)13(19)14(20)16(23-4)24-11/h5-6,11-14,16-20H,7H2,1-4H3/t11-,12-,13+,14+,16+/m1/s1
PDB
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n/an/a 1.86E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505604
PNG
(CHEMBL4574479)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)sc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H21NO6S2/c1-6-4-10(8(3)21-6)22(18,19)14-5-9-12(16)13(17)11(15)7(2)20-9/h4,7,9,11-17H,5H2,1-3H3/t7-,9+,11+,12+,13+/m0/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505602
PNG
(CHEMBL4434928)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cnoc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H18N2O7S/c1-5-8(4-12-20-5)21(17,18)13-3-7-10(15)11(16)9(14)6(2)19-7/h4,6-7,9-11,13-16H,3H2,1-2H3/t6-,7+,9+,10+,11+/m0/s1
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n/an/a 2.06E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505592
PNG
(CHEMBL4451328)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(\C=C/c3ccccc3)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H23NO6S2/c1-12-17(21)19(23)18(22)15(26-12)11-20-28(24,25)16-10-9-14(27-16)8-7-13-5-3-2-4-6-13/h2-10,12,15,17-23H,11H2,1H3/b8-7-/t12-,15+,17+,18+,19+/m0/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505612
PNG
(CHEMBL4548572)
Show SMILES COc1ccc(\C=C\C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC |r|
Show InChI InChI=1S/C18H25NO7/c1-10-16(21)18(23)17(22)14(26-10)9-19-15(20)7-5-11-4-6-12(24-2)13(8-11)25-3/h4-8,10,14,16-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t10-,14+,16+,17+,18+/m0/s1
PDB
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n/an/a 2.34E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 LecB after 6 hrs by fluorescence polarization assay

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505599
PNG
(CHEMBL4464378)
Show SMILES C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3s2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H19NO5S/c1-8-13(18)15(20)14(19)10(22-8)7-17-16(21)12-6-9-4-2-3-5-11(9)23-12/h2-6,8,10,13-15,18-20H,7H2,1H3,(H,17,21)/t8-,10+,13+,14+,15+/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505594
PNG
(CHEMBL4448991)
Show SMILES C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H19NO6/c1-8-13(18)15(20)14(19)12(22-8)7-17-16(21)11-6-9-4-2-3-5-10(9)23-11/h2-6,8,12-15,18-20H,7H2,1H3,(H,17,21)/t8-,12+,13+,14+,15+/m0/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505603
PNG
(CHEMBL4468528)
Show SMILES C[C@@H]1O[C@H](CNS(=O)(=O)c2cn(C)nc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H21N3O6S/c1-6-9(5-15(3)14-6)22(19,20)13-4-8-11(17)12(18)10(16)7(2)21-8/h5,7-8,10-13,16-18H,4H2,1-3H3/t7-,8+,10+,11+,12+/m0/s1
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n/an/a 2.42E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
Fucose-binding lectin PA-IIL


(Pseudomonas aeruginosa)		BDBM50505621
PNG
(CHEMBL4451277)
Show SMILES C[C@@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H21NO5/c1-10-14(19)16(21)15(20)12(22-10)9-17-13(18)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-16,19-21H,9H2,1H3,(H,17,18)/b8-7+/t10-,12+,14+,15+,16+/m0/s1
PDB
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n/an/a 2.49E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...

J Med Chem 62: 9201-9216 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01120
BindingDB Entry DOI: 10.7270/Q2445QRP
More data for this
Ligand-Target Pair
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