BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 55 hits of Enz. Inhib. data with enzyme = 'Adhesin Ata autotransporter' and Substrate = 'to-be-curated'   
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
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
Show InChI InChI=1S/C46H57ClN10O3S/c1-56-41(26-32-28-52-38-10-3-2-9-35(32)38)44(59)54-29-36-34(30-13-15-33(16-14-30)57-24-22-50-23-25-57)17-18-37(47)42(36)61-45-31(8-7-21-51-45)27-53-39(12-6-20-49)43(58)55-40(46(56)60)11-4-5-19-48/h2-3,7-10,13-18,21,28,39-41,50,52-53H,4-6,11-12,19-20,22-27,29,48-49H2,1H3,(H,54,59)(H,55,58)/t39-,40-,41-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C37H46Cl2N8O3S/c1-41-15-6-5-12-31-37(50)47(2)32(18-24-21-43-29-11-4-3-10-27(24)29)35(49)45-22-25-17-26(38)19-28(39)33(25)51-36-23(9-8-16-42-36)20-44-30(13-7-14-40)34(48)46-31/h3-4,8-11,16-17,19,21,30-32,41,43-44H,5-7,12-15,18,20,22,40H2,1-2H3,(H,45,49)(H,46,48)/t30-,31-,32-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C47H59ClN10O4S/c1-57(2)25-24-51-43(59)31-17-15-30(16-18-31)34-19-20-37(48)42-36(34)29-55-45(61)41(26-33-28-53-38-12-5-4-11-35(33)38)58(3)47(62)40(13-6-7-21-49)56-44(60)39(14-8-22-50)54-27-32-10-9-23-52-46(32)63-42/h4-5,9-12,15-20,23,28,39-41,53-54H,6-8,13-14,21-22,24-27,29,49-50H2,1-3H3,(H,51,59)(H,55,61)(H,56,60)/t39-,40-,41-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C47H58ClN9O3S/c1-57-42(26-34-28-53-39-10-3-2-9-36(34)39)45(59)55-29-37-35(32-15-13-30(14-16-32)31-19-24-51-25-20-31)17-18-38(48)43(37)61-46-33(8-7-23-52-46)27-54-40(12-6-22-50)44(58)56-41(47(57)60)11-4-5-21-49/h2-3,7-10,13-18,23,28,31,40-42,51,53-54H,4-6,11-12,19-22,24-27,29,49-50H2,1H3,(H,55,59)(H,56,58)/t40-,41-,42-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C49H61ClN10O5S/c1-59-43(28-35-30-55-40-10-3-2-9-37(35)40)47(63)57-31-38-36(32-13-15-33(16-14-32)45(61)53-22-23-60-24-26-65-27-25-60)17-18-39(50)44(38)66-48-34(8-7-21-54-48)29-56-41(12-6-20-52)46(62)58-42(49(59)64)11-4-5-19-51/h2-3,7-10,13-18,21,30,41-43,55-56H,4-6,11-12,19-20,22-29,31,51-52H2,1H3,(H,53,61)(H,57,63)(H,58,62)/t41-,42-,43-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C45H54ClN9O5S/c1-55-39(24-31-26-51-36-10-3-2-9-33(31)36)43(59)53-27-34-32(28-13-15-29(16-14-28)41(57)49-22-23-56)17-18-35(46)40(34)61-44-30(8-7-21-50-44)25-52-37(12-6-20-48)42(58)54-38(45(55)60)11-4-5-19-47/h2-3,7-10,13-18,21,26,37-39,51-52,56H,4-6,11-12,19-20,22-25,27,47-48H2,1H3,(H,49,57)(H,53,59)(H,54,58)/t37-,38-,39-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C42H50ClN9O4S/c1-52-35(20-28-23-47-32-12-5-4-11-29(28)32)41(54)50-24-30-31(43)25-49-38(26-16-19-46-37(21-26)56-2)39(30)57-36-15-6-3-10-27(36)22-48-33(14-9-18-45)40(53)51-34(42(52)55)13-7-8-17-44/h3-6,10-12,15-16,19,21,23,25,33-35,47-48H,7-9,13-14,17-18,20,22,24,44-45H2,1-2H3,(H,50,54)(H,51,53)/t33-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C45H55ClN8O6S/c1-54-40(22-30-24-50-37-10-3-2-9-34(30)37)43(58)52-25-35-33(28-13-15-32(16-14-28)60-27-31(56)26-55)17-18-36(46)41(35)61-44-29(8-7-21-49-44)23-51-38(12-6-20-48)42(57)53-39(45(54)59)11-4-5-19-47/h2-3,7-10,13-18,21,24,31,38-40,50-51,55-56H,4-6,11-12,19-20,22-23,25-27,47-48H2,1H3,(H,52,58)(H,53,57)/t31?,38-,39-,40-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C43H52ClN9O3S/c1-53-38(22-30-25-49-35-10-3-2-9-32(30)35)41(55)51-26-33-31(28-15-13-27(23-47)14-16-28)17-18-34(44)39(33)57-42-29(8-7-21-48-42)24-50-36(12-6-20-46)40(54)52-37(43(53)56)11-4-5-19-45/h2-3,7-10,13-18,21,25,36-38,49-50H,4-6,11-12,19-20,22-24,26,45-47H2,1H3,(H,51,55)(H,52,54)/t36-,37-,38-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C44H54ClN9O6S2/c1-54-39(24-30-26-49-36-10-3-2-9-33(30)36)42(57)51-27-34-32(28-13-15-31(16-14-28)62(59,60)52-22-23-55)17-18-35(45)40(34)61-43-29(8-7-21-48-43)25-50-37(12-6-20-47)41(56)53-38(44(54)58)11-4-5-19-46/h2-3,7-10,13-18,21,26,37-39,49-50,52,55H,4-6,11-12,19-20,22-25,27,46-47H2,1H3,(H,51,57)(H,53,56)/t37-,38-,39-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C36H43Cl2N7O3S/c1-45-31(17-23-20-41-28-10-4-3-9-26(23)28)35(47)43-21-24-16-25(37)18-27(38)33(24)49-32-13-5-2-8-22(32)19-42-29(11-6-14-39)34(46)44-30(36(45)48)12-7-15-40/h2-5,8-10,13,16,18,20,29-31,41-42H,6-7,11-12,14-15,17,19,21,39-40H2,1H3,(H,43,47)(H,44,46)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C37H45BrClN7O3S/c1-46-32(18-24-21-42-29-11-4-3-10-27(24)29)36(48)44-22-25-17-26(38)19-28(39)34(25)50-33-14-5-2-9-23(33)20-43-30(13-8-16-41)35(47)45-31(37(46)49)12-6-7-15-40/h2-5,9-11,14,17,19,21,30-32,42-43H,6-8,12-13,15-16,18,20,22,40-41H2,1H3,(H,44,48)(H,45,47)/t30-,31-,32-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C37H43Cl2F3N8O3S/c1-50-31(16-22-19-46-28-12-9-23(38)17-24(22)28)34(52)48-20-25-26(37(40,41)42)10-11-27(39)32(25)54-35-21(6-5-15-45-35)18-47-29(8-4-14-44)33(51)49-30(36(50)53)7-2-3-13-43/h5-6,9-12,15,17,19,29-31,46-47H,2-4,7-8,13-14,16,18,20,43-44H2,1H3,(H,48,52)(H,49,51)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C44H51ClN8O6S/c1-53-38(22-29-24-49-35-10-3-2-9-32(29)35)42(57)51-25-33-31(27-13-15-30(16-14-27)59-26-39(54)55)17-18-34(45)40(33)60-43-28(8-7-21-48-43)23-50-36(12-6-20-47)41(56)52-37(44(53)58)11-4-5-19-46/h2-3,7-10,13-18,21,24,36-38,49-50H,4-6,11-12,19-20,22-23,25-26,46-47H2,1H3,(H,51,57)(H,52,56)(H,54,55)/t36-,37-,38-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C47H58ClN9O4S/c1-57-42(26-32-28-53-39-10-3-2-9-36(32)39)45(59)55-29-37-35(30-13-15-33(16-14-30)61-34-19-24-51-25-20-34)17-18-38(48)43(37)62-46-31(8-7-23-52-46)27-54-40(12-6-22-50)44(58)56-41(47(57)60)11-4-5-21-49/h2-3,7-10,13-18,23,28,34,40-42,51,53-54H,4-6,11-12,19-22,24-27,29,49-50H2,1H3,(H,55,59)(H,56,58)/t40-,41-,42-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C35H44BrN9O3S/c1-45-29(18-23-20-40-25-10-3-2-9-24(23)25)33(47)42-21-28-30(13-14-31(36)43-28)49-34-22(8-7-17-39-34)19-41-26(12-6-16-38)32(46)44-27(35(45)48)11-4-5-15-37/h2-3,7-10,13-14,17,20,26-27,29,40-41H,4-6,11-12,15-16,18-19,21,37-38H2,1H3,(H,42,47)(H,44,46)/t26-,27-,29-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C42H47ClF3N9O3S/c1-55-34(19-27-22-50-31-11-4-3-10-28(27)31)40(57)53-23-29-30(43)24-52-37(25-15-18-49-36(20-25)42(44,45)46)38(29)59-35-14-5-2-9-26(35)21-51-32(13-8-17-48)39(56)54-33(41(55)58)12-6-7-16-47/h2-5,9-11,14-15,18,20,22,24,32-34,50-51H,6-8,12-13,16-17,19,21,23,47-48H2,1H3,(H,53,57)(H,54,56)/t32-,33-,34-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C36H44Cl2N8O3S/c1-46-30(17-23-19-41-27-11-4-3-10-24(23)27)35(48)44-20-25-26(37)21-43-33(38)32(25)50-31-14-5-2-9-22(31)18-42-28(13-8-16-40)34(47)45-29(36(46)49)12-6-7-15-39/h2-5,9-11,14,19,21,28-30,41-42H,6-8,12-13,15-18,20,39-40H2,1H3,(H,44,48)(H,45,47)/t28-,29-,30-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C35H44ClN9O3S/c1-45-29(16-23-19-40-26-10-3-2-9-25(23)26)33(47)43-20-24-17-31(36)42-21-30(24)49-34-22(8-7-15-39-34)18-41-27(12-6-14-38)32(46)44-28(35(45)48)11-4-5-13-37/h2-3,7-10,15,17,19,21,27-29,40-41H,4-6,11-14,16,18,20,37-38H2,1H3,(H,43,47)(H,44,46)/t27-,28-,29-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C36H45ClN8O3S/c1-45-31(17-24-20-41-28-11-4-3-10-26(24)28)35(47)43-21-25-18-40-22-27(37)33(25)49-32-14-5-2-9-23(32)19-42-29(13-8-16-39)34(46)44-30(36(45)48)12-6-7-15-38/h2-5,9-11,14,18,20,22,29-31,41-42H,6-8,12-13,15-17,19,21,38-39H2,1H3,(H,43,47)(H,44,46)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C36H45ClN8O3S/c1-45-30(17-24-20-40-27-11-4-3-10-26(24)27)35(47)43-21-25-18-33(37)42-22-32(25)49-31-14-5-2-9-23(31)19-41-28(13-8-16-39)34(46)44-29(36(45)48)12-6-7-15-38/h2-5,9-11,14,18,20,22,28-30,40-41H,6-8,12-13,15-17,19,21,38-39H2,1H3,(H,43,47)(H,44,46)/t28-,29-,30-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C40H52ClN9O4S/c1-49-34(21-27-23-44-31-11-4-3-10-28(27)31)39(52)47-24-29-30(41)25-46-37(50-17-19-54-20-18-50)36(29)55-35-14-5-2-9-26(35)22-45-32(13-8-16-43)38(51)48-33(40(49)53)12-6-7-15-42/h2-5,9-11,14,23,25,32-34,44-45H,6-8,12-13,15-22,24,42-43H2,1H3,(H,47,52)(H,48,51)/t32-,33-,34-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C44H54ClN9O3S/c1-54-39(24-31-26-50-36-13-3-2-12-33(31)36)42(56)52-27-34-32(29-10-6-9-28(23-29)18-21-48)16-17-35(45)40(34)58-43-30(11-8-22-49-43)25-51-37(15-7-20-47)41(55)53-38(44(54)57)14-4-5-19-46/h2-3,6,8-13,16-17,22-23,26,37-39,50-51H,4-5,7,14-15,18-21,24-25,27,46-48H2,1H3,(H,52,56)(H,53,55)/t37-,38-,39-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C37H45BrClN7O3S/c1-46-31(19-25-22-42-28-11-4-3-10-26(25)28)36(48)44-21-24-15-16-27(38)33(39)34(24)50-32-14-5-2-9-23(32)20-43-29(13-8-18-41)35(47)45-30(37(46)49)12-6-7-17-40/h2-5,9-11,14-16,22,29-31,42-43H,6-8,12-13,17-21,40-41H2,1H3,(H,44,48)(H,45,47)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C42H49ClN8O3S/c1-51-37(23-30-25-47-34-11-4-3-10-32(30)34)41(53)49-26-31-21-29(27-15-19-46-20-16-27)22-33(43)39(31)55-38-14-5-2-9-28(38)24-48-35(13-8-18-45)40(52)50-36(42(51)54)12-6-7-17-44/h2-5,9-11,14-16,19-22,25,35-37,47-48H,6-8,12-13,17-18,23-24,26,44-45H2,1H3,(H,49,53)(H,50,52)/t35-,36-,37-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C42H49ClN8O3S/c1-51-37(22-30-25-47-34-13-4-3-12-32(30)34)41(53)49-26-31-20-29(27-11-9-19-46-23-27)21-33(43)39(31)55-38-16-5-2-10-28(38)24-48-35(15-8-18-45)40(52)50-36(42(51)54)14-6-7-17-44/h2-5,9-13,16,19-21,23,25,35-37,47-48H,6-8,14-15,17-18,22,24,26,44-45H2,1H3,(H,49,53)(H,50,52)/t35-,36-,37-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C36H43Cl2N7O4S/c1-45-31(17-23-20-41-28-10-3-2-9-26(23)28)34(48)43-21-24-16-25(37)18-27(38)32(24)50-35-22(8-6-14-40-35)19-42-29(12-7-15-46)33(47)44-30(36(45)49)11-4-5-13-39/h2-3,6,8-10,14,16,18,20,29-31,41-42,46H,4-5,7,11-13,15,17,19,21,39H2,1H3,(H,43,48)(H,44,47)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C43H50ClN7O3S/c1-51-38(24-31-26-47-35-16-7-6-15-33(31)35)42(53)49-27-32-22-30(28-12-3-2-4-13-28)23-34(44)40(32)55-39-19-8-5-14-29(39)25-48-36(18-11-21-46)41(52)50-37(43(51)54)17-9-10-20-45/h2-8,12-16,19,22-23,26,36-38,47-48H,9-11,17-18,20-21,24-25,27,45-46H2,1H3,(H,49,53)(H,50,52)/t36-,37-,38-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C37H45BrClN7O3S/c1-46-32(18-25-22-42-29-11-3-2-9-27(25)29)36(48)44-21-24-8-6-10-28(39)34(24)50-33-19-26(38)15-14-23(33)20-43-30(13-7-17-41)35(47)45-31(37(46)49)12-4-5-16-40/h2-3,6,8-11,14-15,19,22,30-32,42-43H,4-5,7,12-13,16-18,20-21,40-41H2,1H3,(H,44,48)(H,45,47)/t30-,31-,32-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C44H53ClN8O3S/c1-53-39(23-32-26-49-36-11-3-2-9-34(32)36)43(55)51-25-31-8-6-10-35(45)41(31)57-40-19-18-30(29-16-14-28(24-48)15-17-29)22-33(40)27-50-37(13-7-21-47)42(54)52-38(44(53)56)12-4-5-20-46/h2-3,6,8-11,14-19,22,26,37-39,49-50H,4-5,7,12-13,20-21,23-25,27,46-48H2,1H3,(H,51,55)(H,52,54)/t37-,38-,39-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C37H50N10O3S/c1-46(2)33-27-23-44-35(49)31(20-25-22-42-28-12-5-4-11-26(25)28)47(3)37(50)30(13-6-7-16-38)45-34(48)29(14-8-17-39)43-21-24-10-9-18-41-36(24)51-32(27)15-19-40-33/h4-5,9-12,15,18-19,22,29-31,42-43H,6-8,13-14,16-17,20-21,23,38-39H2,1-3H3,(H,44,49)(H,45,48)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C36H45FN8O3S/c1-45-31(18-24-20-40-28-11-4-3-10-27(24)28)34(47)42-19-23-9-2-5-14-32(23)49-35-25(17-26(37)22-43-35)21-41-29(13-8-16-39)33(46)44-30(36(45)48)12-6-7-15-38/h2-5,9-11,14,17,20,22,29-31,40-41H,6-8,12-13,15-16,18-19,21,38-39H2,1H3,(H,42,47)(H,44,46)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C41H50N10O4S/c1-51-35(21-28-24-46-31-11-4-3-10-29(28)31)39(53)48-25-34-36(15-14-30(49-34)26-16-20-44-37(22-26)55-2)56-40-27(9-8-19-45-40)23-47-32(13-7-18-43)38(52)50-33(41(51)54)12-5-6-17-42/h3-4,8-11,14-16,19-20,22,24,32-33,35,46-47H,5-7,12-13,17-18,21,23,25,42-43H2,1-2H3,(H,48,53)(H,50,52)/t32-,33-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C43H49ClN8O5S/c1-52-37(22-29-24-48-34-10-3-2-9-31(29)34)40(54)50-25-32-30(26-13-15-27(16-14-26)43(56)57)17-18-33(44)38(32)58-41-28(8-7-21-47-41)23-49-35(12-6-20-46)39(53)51-36(42(52)55)11-4-5-19-45/h2-3,7-10,13-18,21,24,35-37,48-49H,4-6,11-12,19-20,22-23,25,45-46H2,1H3,(H,50,54)(H,51,53)(H,56,57)/t35-,36-,37-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C43H49Cl2N7O3S/c1-52-38(23-29-25-48-35-15-6-4-13-32(29)35)42(54)50-26-30-21-28(31-12-3-5-14-33(31)44)22-34(45)40(30)56-39-18-7-2-11-27(39)24-49-36(17-10-20-47)41(53)51-37(43(52)55)16-8-9-19-46/h2-7,11-15,18,21-22,25,36-38,48-49H,8-10,16-17,19-20,23-24,26,46-47H2,1H3,(H,50,54)(H,51,53)/t36-,37-,38-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C37H45BrClN7O3S/c1-46-32(19-24-21-42-29-11-3-2-9-27(24)29)36(48)44-20-23-8-6-10-28(39)34(23)50-33-15-14-26(38)18-25(33)22-43-30(13-7-17-41)35(47)45-31(37(46)49)12-4-5-16-40/h2-3,6,8-11,14-15,18,21,30-32,42-43H,4-5,7,12-13,16-17,19-20,22,40-41H2,1H3,(H,44,48)(H,45,47)/t30-,31-,32-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C39H52N10O4S/c1-48-33(22-27-24-43-29-10-3-2-9-28(27)29)37(51)45-25-32-34(13-14-35(46-32)49-18-20-53-21-19-49)54-38-26(8-7-17-42-38)23-44-30(12-6-16-41)36(50)47-31(39(48)52)11-4-5-15-40/h2-3,7-10,13-14,17,24,30-31,33,43-44H,4-6,11-12,15-16,18-23,25,40-41H2,1H3,(H,45,51)(H,47,50)/t30-,31-,33-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...)
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
Show InChI InChI=1S/C41H50N10O3S/c1-26-21-27(16-20-44-26)31-14-15-37-35(49-31)25-48-39(53)36(22-29-24-46-32-11-4-3-10-30(29)32)51(2)41(54)34(12-5-6-17-42)50-38(52)33(13-7-18-43)47-23-28-9-8-19-45-40(28)55-37/h3-4,8-11,14-16,19-21,24,33-34,36,46-47H,5-7,12-13,17-18,22-23,25,42-43H2,1-2H3,(H,48,53)(H,50,52)/t33-,34-,36-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C44H48F3N7O4S/c1-54-37(23-30-25-50-34-15-7-6-14-32(30)34)42(57)52-26-31-21-29(27-11-3-2-4-12-27)22-33(44(45,46)47)40(31)59-38-17-8-5-13-28(38)24-51-35(18-19-39(49)55)41(56)53-36(43(54)58)16-9-10-20-48/h2-8,11-15,17,21-22,25,35-37,50-51H,9-10,16,18-20,23-24,26,48H2,1H3,(H2,49,55)(H,52,57)(H,53,56)/t35-,36-,37-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C41H48ClN9O3S/c1-51-35(21-28-23-46-32-11-4-3-10-29(28)32)40(53)49-24-30-31(42)25-48-37(26-15-19-45-20-16-26)38(30)55-36-14-5-2-9-27(36)22-47-33(13-8-18-44)39(52)50-34(41(51)54)12-6-7-17-43/h2-5,9-11,14-16,19-20,23,25,33-35,46-47H,6-8,12-13,17-18,21-22,24,43-44H2,1H3,(H,49,53)(H,50,52)/t33-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C36H45BrN8O3S/c1-45-31(18-24-20-40-28-11-4-3-10-27(24)28)34(47)42-19-23-9-2-5-14-32(23)49-35-25(17-26(37)22-43-35)21-41-29(13-8-16-39)33(46)44-30(36(45)48)12-6-7-15-38/h2-5,9-11,14,17,20,22,29-31,40-41H,6-8,12-13,15-16,18-19,21,38-39H2,1H3,(H,42,47)(H,44,46)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C41H48ClN9O3S/c1-51-35(20-28-23-46-32-13-4-3-12-29(28)32)40(53)49-24-30-31(42)25-48-37(27-11-9-19-45-21-27)38(30)55-36-16-5-2-10-26(36)22-47-33(15-8-18-44)39(52)50-34(41(51)54)14-6-7-17-43/h2-5,9-13,16,19,21,23,25,33-35,46-47H,6-8,14-15,17-18,20,22,24,43-44H2,1H3,(H,49,53)(H,50,52)/t33-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C36H43Cl2N7O3S/c1-3-4-11-30-36(48)45(2)31(17-23-20-41-28-12-6-5-10-26(23)28)34(47)43-21-24-16-25(37)18-27(38)32(24)49-35-22(9-8-15-40-35)19-42-29(13-7-14-39)33(46)44-30/h5-6,8-10,12,15-16,18,20,29-31,41-42H,3-4,7,11,13-14,17,19,21,39H2,1-2H3,(H,43,47)(H,44,46)/t29-,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C43H50ClN7O3S/c1-51-37(24-31-27-47-34-16-7-6-15-32(31)34)42(53)49-26-30-20-21-33(28-12-3-2-4-13-28)39(44)40(30)55-38-19-8-5-14-29(38)25-48-35(18-11-23-46)41(52)50-36(43(51)54)17-9-10-22-45/h2-8,12-16,19-21,27,35-37,47-48H,9-11,17-18,22-26,45-46H2,1H3,(H,49,53)(H,50,52)/t35-,36-,37-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C40H48N10O3S/c1-50-34(21-28-24-46-31-12-3-2-11-29(28)31)38(52)48-25-30-35(15-20-44-36(30)26-9-7-18-43-22-26)54-39-27(10-8-19-45-39)23-47-32(14-6-17-42)37(51)49-33(40(50)53)13-4-5-16-41/h2-3,7-12,15,18-20,22,24,32-34,46-47H,4-6,13-14,16-17,21,23,25,41-42H2,1H3,(H,48,52)(H,49,51)/t32-,33-,34-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C43H50ClN7O3S/c1-51-38(23-32-27-47-35-16-6-5-14-33(32)35)42(53)49-26-31-13-9-15-34(44)40(31)55-39-24-29(28-11-3-2-4-12-28)19-20-30(39)25-48-36(18-10-22-46)41(52)50-37(43(51)54)17-7-8-21-45/h2-6,9,11-16,19-20,24,27,36-38,47-48H,7-8,10,17-18,21-23,25-26,45-46H2,1H3,(H,49,53)(H,50,52)/t36-,37-,38-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C43H46F3N7O4S/c1-53-36(22-29-24-49-33-14-7-6-13-31(29)33)41(56)51-25-30-20-28(26-10-3-2-4-11-26)21-32(43(44,45)46)39(30)58-37-16-8-5-12-27(37)23-50-34(15-9-19-47)40(55)52-35(42(53)57)17-18-38(48)54/h2-8,10-14,16,20-21,24,34-36,49-50H,9,15,17-19,22-23,25,47H2,1H3,(H2,48,54)(H,51,56)(H,52,55)/t34-,35-,36-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C46H48N6O3S/c1-52-30-35-15-6-10-20-43(35)56-42-19-9-5-14-34(42)28-49-44(53)40(27-36-29-48-38-17-8-7-16-37(36)38)51-45(54)39(18-11-25-47)50-46(55)41(52)26-31-21-23-33(24-22-31)32-12-3-2-4-13-32/h2-10,12-17,19-24,29,39-41,48H,11,18,25-28,30,47H2,1H3,(H,49,53)(H,50,55)(H,51,54)/t39-,40-,41-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Show InChI InChI=1S/C43H50ClN7O3S/c1-51-38(24-31-26-47-35-16-6-5-14-33(31)35)42(53)49-25-30-13-9-15-34(44)40(30)55-39-20-19-29(28-11-3-2-4-12-28)23-32(39)27-48-36(18-10-22-46)41(52)50-37(43(51)54)17-7-8-21-45/h2-6,9,11-16,19-20,23,26,36-38,47-48H,7-8,10,17-18,21-22,24-25,27,45-46H2,1H3,(H,49,53)(H,50,52)/t36-,37-,38-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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
Displayed 1 to 50 (of 55 total )  |  Next  |  Last  >>
Jump to: