Compile Data Set for Download or QSAR
Found 55 Enz. Inhib. hit(s) with Target = 'Adhesin Ata autotransporter'
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281036((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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281042((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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281039(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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281041((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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281040(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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281038(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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281014((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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281031((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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281034((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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281037(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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM280996((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
Affinity DataIC50: 100nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281003((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
Affinity DataIC50: 200nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM280997((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
Affinity DataIC50: 200nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281032(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
Affinity DataIC50: 200nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281033((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
Affinity DataIC50: 200nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281015((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
Affinity DataIC50: 200nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281016((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
Affinity DataIC50: 300nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281004((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
Affinity DataIC50: 390nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281008((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
Affinity DataIC50: 390nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281007((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
Affinity DataIC50: 390nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281005((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
Affinity DataIC50: 390nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281017((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
Affinity DataIC50: 400nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281035((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
Affinity DataIC50: 400nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281010((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
Affinity DataIC50: 400nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281002((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
Affinity DataIC50: 400nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281001((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
Affinity DataIC50: 400nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281043((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
Affinity DataIC50: 500nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM280998((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
Affinity DataIC50: 600nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM280999((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
Affinity DataIC50: 600nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281025((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
Affinity DataIC50: 600nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281022((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
Affinity DataIC50: 700nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281028((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
Affinity DataIC50: 800nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281045((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
Affinity DataIC50: 900nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281023((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
Affinity DataIC50: 1.00E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281030(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
Affinity DataIC50: 1.00E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281000((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
Affinity DataIC50: 1.30E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281018((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
Affinity DataIC50: 1.40E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281024((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
Affinity DataIC50: 2.00E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281021((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
Affinity DataIC50: 2.00E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281006(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
Affinity DataIC50: 2.70E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281013((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
Affinity DataIC50: 3.00E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281027((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
Affinity DataIC50: 3.20E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281012((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
Affinity DataIC50: 3.30E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281044((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
Affinity DataIC50: 4.20E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281011((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
Affinity DataIC50: 5.10E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281029((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
Affinity DataIC50: 5.60E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281026((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
Affinity DataIC50: 5.80E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281009(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
Affinity DataIC50: 6.80E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM280991((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
Affinity DataIC50: 8.10E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdhesin Ata autotransporter(Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)
Hoffmann-La Roche Inc

US Patent
LigandPNGBDBM281019((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
Affinity DataIC50: 9.00E+3nMAssay Description:The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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