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Patent code US10030047

Compile Data Set for Download or QSAR
Found 55 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
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281041
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-1-(3-amino-propyl...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(cc1)C1CCNCC1
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280996
PNG
((12S,15S,18S)? 15,18-Bis-(3-amino-propyl)-4,6-dich...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(Cl)cc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCN)C1=O
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n/an/a 100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281038
PNG
(4-[(11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-pr...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(cc1)C(=O)NCCO
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281034
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-22-(4-aminomethyl...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(CN)cc1
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281036
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(cc1)N1CCNCC1
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281031
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(OCC(O)CO)cc1
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281040
PNG
(4-[(11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-pr...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(cc1)C(=O)NCCN1CCOCC1
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281042
PNG
((11S,14S,17S)-11-(3-Amino-propyl)-23,25-dichloro-1...)
Show SMILES CNCCCC[C@@H]1NC(=O)[C@H](CCCN)NCc2cccnc2Sc2c(Cl)cc(Cl)cc2CNC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C1=O
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281037
PNG
(4-[(11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-pr...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(cc1)S(=O)(=O)NCCO
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281014
PNG
((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-amino...)
Show SMILES COc1cc(ccn1)-c1ncc(Cl)c2CNC(=O)[C@H](Cc3c[nH]c4ccccc34)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN)NCc3ccccc3Sc12
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n/an/a 100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281039
PNG
(4-[(11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-pr...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1ccc(Cl)c2Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCc12
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n/an/a<100n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280997
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(Cl)cc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2C(F)(F)F
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n/an/a 200n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281015
PNG
((7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-amin...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2nc(Br)ccc2Sc2ncccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a 200n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281032
PNG
(US10030047, Example 241 | {4-[(11S,14S,17S)-14-(4-...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(OCC(O)=O)cc1
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n/an/a<200n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281033
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(OC2CCNCC2)cc1
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n/an/a<200n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281003
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(Br)cc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a 200n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281016
PNG
((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-amino...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Cl)cnc(-c3ccnc(c3)C(F)(F)F)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a 300n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281007
PNG
((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-amino...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cncc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a<390n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281005
PNG
((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-amino...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(Cl)ncc2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a<390n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281004
PNG
((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-amino...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Cl)cnc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a<390n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281008
PNG
((7S,10S,13S)? 13-((1H-Indol-3-yl)methyl)-10-(4-ami...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(Cl)ncc2Sc2ncccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a<390n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281001
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1cccnc1
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n/an/a<400n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281010
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccc(Br)c(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a<400n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281035
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-22-[3-(2-amino-et...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1cccc(CCN)c1
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n/an/a<400n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281017
PNG
((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-amino...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Cl)cnc(N3CCOCC3)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a 400n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281002
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccncc1
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n/an/a<400n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281043
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-23,25-dichloro-11...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(Cl)cc(Cl)c2Sc2ncccc2CN[C@@H](CCCO)C(=O)N[C@@H](CCCCN)C1=O
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n/an/a 500n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280999
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccccc1
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n/an/a 600n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280998
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES CN1[C@@H](CC2CNc3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2C(F)(F)F
Show InChI InChI=1S/C37H46ClF3N8O3S/c1-49-31(18-23-20-45-28-10-3-2-9-24(23)28)34(51)47-21-25-26(37(39,40)41)13-14-27(38)32(25)53-35-22(8-7-17-44-35)19-46-29(12-6-16-43)33(50)48-30(36(49)52)11-4-5-15-42/h2-3,7-10,13-14,17,23,29-31,45-46H,4-6,11-12,15-16,18-21,42-43H2,1H3,(H,47,51)(H,48,50)/t23?,29-,30-,31-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281025
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cccc(Cl)c2Sc2cc(Br)ccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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UniChem
n/an/a 600n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281022
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-23-(4-aminomethyl...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cccc(Cl)c2Sc2ccc(cc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccc(CN)cc1
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UniChem
n/an/a 700n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281028
PNG
((7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-amin...)
Show SMILES CN(C)c1nccc2Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCc12
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UniChem
n/an/a 800n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281045
PNG
((7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-amin...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2Sc2ncc(F)cc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
GoogleScholar
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UniChem
n/an/a 900n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281023
PNG
((7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-amin...)
Show SMILES COc1cc(ccn1)-c1ccc2Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCc2n1
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UniChem
n/an/a 1.00E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281030
PNG
(4-[(11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-pr...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2-c1ccc(cc1)C(O)=O
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UniChem
n/an/a<1.00E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281000
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccccc1Cl
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UniChem
n/an/a 1.30E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281018
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cccc(Cl)c2Sc2ccc(Br)cc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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UniChem
n/an/a 1.40E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281021
PNG
((7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-amin...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2nc(ccc2Sc2ncccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccnc(C)c1
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UniChem
n/an/a 2.00E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281024
PNG
((7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-amin...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2nc(ccc2Sc2ncccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)N1CCOCC1
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UniChem
n/an/a 2.00E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281006
PNG
(3-[(11S,14S,17S)-14-(4-Amino-butyl)-17-(1H-indol-3...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(c2Sc2ccccc2CN[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C1=O)C(F)(F)F)-c1ccccc1
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UniChem
n/an/a 2.70E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281013
PNG
((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-1-(4-aminob...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Cl)cnc(-c3ccncc3)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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UniChem
n/an/a 3.00E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281027
PNG
((7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-amin...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2Sc2ncc(Br)cc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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UniChem
n/an/a 3.20E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281012
PNG
((8S,11S,14S)-8-((1H-Indol-3-yl)methyl)-11-(4-amino...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Cl)cnc(-c3cccnc3)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O
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UniChem
n/an/a 3.30E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281044
PNG
((11S,14S,17S)-11-(3-Amino-propyl)-14-butyl-23,25-d...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCN)NCc2cccnc2Sc2c(Cl)cc(Cl)cc2CNC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C1=O
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AffyNet 
UniChem
n/an/a 4.20E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281011
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccc(c(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccccc1
GoogleScholar
AffyNet 
UniChem
n/an/a 5.10E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281029
PNG
((7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-amin...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)ccnc2-c1cccnc1
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UniChem
n/an/a 5.60E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281026
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cccc(Cl)c2Sc2cc(ccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccccc1
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UniChem
n/an/a 5.80E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281009
PNG
(3-[(11S,14S,17S)-11-(3-Amino-propyl)-17-(1H-indol-...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCC(N)=O)C1=O)C(F)(F)F)-c1ccccc1
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UniChem
n/an/a 6.80E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280991
PNG
((12S,15S,18S)-15-(3-Amino-propyl)-18-biphenyl-4-yl...)
Show SMILES CN1Cc2ccccc2Sc2ccccc2CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1
GoogleScholar
AffyNet 
UniChem
n/an/a 8.10E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281019
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cccc(Cl)c2Sc2ccc(cc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccccc1
GoogleScholar
AffyNet 
UniChem
n/an/a 9.00E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM281020
PNG
((12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cccc(Cl)c2Sc2ccc(cc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1cccnc1
GoogleScholar
AffyNet 
UniChem
n/an/a 1.25E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280995
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2ccc3ccccc3n2)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)c(Cl)ccc2C(F)(F)F
Show InChI InChI=1S/C38H44ClF3N8O3S/c1-50-32(20-25-14-13-23-8-2-3-10-29(23)48-25)35(52)47-22-26-27(38(40,41)42)15-16-28(39)33(26)54-36-24(9-7-19-45-36)21-46-30(12-6-18-44)34(51)49-31(37(50)53)11-4-5-17-43/h2-3,7-10,13-16,19,30-32,46H,4-6,11-12,17-18,20-22,43-44H2,1H3,(H,47,52)(H,49,51)/t30-,31-,32-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280993
PNG
((11S,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@H](CCCN)NCc2cccnc2Sc2c(CNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC1=O)ccc(c2Cl)-c1ccccc1
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AffyNet 
UniChem
n/an/a 2.33E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280994
PNG
((11R,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccc(c(Cl)c2Sc2ncccc2CN[C@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)-c1ccccc1
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AffyNet 
UniChem
n/an/a 3.03E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
Adhesin Ata autotransporter


(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
BDBM280992
PNG
((11R,14S,17S)-14-(4-Amino-butyl)-11-(3-amino-propy...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CCCN)NCc2cccnc2Sc2c(CNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC1=O)ccc(c2Cl)-c1ccccc1
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AffyNet 
UniChem
n/an/a 3.49E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...


US Patent US10030047 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%