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37 similar compounds to monomer 50365344

Compile data set for download or QSAR
Wt: 419.4
BDBM30550
Wt: 433.5
BDBM135564
Wt: 361.4
BDBM135458
Wt: 392.4
BDBM135460
Wt: 379.4
BDBM135464
Wt: 363.4
BDBM135472
Wt: 391.4
BDBM135474
Wt: 365.4
BDBM135476
Wt: 381.8
BDBM135477
Wt: 405.5
BDBM135478
Wt: 365.4
BDBM135479
Wt: 363.4
BDBM135480
Wt: 393.5
BDBM135481
Wt: 416.3
BDBM135483
Wt: 403.5
BDBM135485
Displayed 1 to 15 (of 37 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 30550,135564,135458,135460,135464,135472,135474,135476,135477,135478,135479,135480,135481,135483,135485   
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
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM30550
PNG
(US8853258, 194)
Show SMILES CC(O)C(=O)c1ccc(cc1)-c1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1/C21H25NO6S/c1-14(23)19(24)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-13-21(2,20(25)22-26)29(3,27)28/h4-11,14,23,26H,12-13H2,1-3H3,(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.195n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135564
PNG
(US8853258, 217)
Show SMILES CC(C)(O)C(=O)c1ccc(cc1)-c1ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H27NO6S/c1-21(2,26)19(24)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-14-22(3,20(25)23-27)30(4,28)29/h5-12,26-27H,13-14H2,1-4H3,(H,23,25)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.278n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135460
PNG
(US8853258, 5)
Show SMILES CC(CCc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C18H20N2O6S/c1-18(17(21)19-22,27(2,25)26)12-11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)20(23)24/h3-10,22H,11-12H2,1-2H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.120n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135464
PNG
(US8853258, 12)
Show SMILES CC(CCc1ccc(Sc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C18H21NO4S2/c1-18(17(20)19-21,25(2,22)23)13-12-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11.9n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135472
PNG
(US8853258, 23)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccc(O)cc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C18H21NO5S/c1-18(17(21)19-22,25(2,23)24)12-11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,20,22H,11-12H2,1-2H3,(H,19,21)/t18-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.180n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135474
PNG
(US8853258, 34)
Show SMILES CC(CCc1ccc(cc1)-c1ccc(CCO)cc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C20H25NO5S/c1-20(19(23)21-24,27(2,25)26)13-11-15-3-7-17(8-4-15)18-9-5-16(6-10-18)12-14-22/h3-10,22,24H,11-14H2,1-2H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.331n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135476
PNG
(US8853258, 42)
Show SMILES CC(CCc1ccc(cc1)-c1cccc(F)c1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C18H20FNO4S/c1-18(17(21)20-22,25(2,23)24)11-10-13-6-8-14(9-7-13)15-4-3-5-16(19)12-15/h3-9,12,22H,10-11H2,1-2H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.335n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135477
PNG
(US8853258, 44)
Show SMILES CC(CCc1ccc(cc1)-c1ccc(Cl)cc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C18H20ClNO4S/c1-18(17(21)20-22,25(2,23)24)12-11-13-3-5-14(6-4-13)15-7-9-16(19)10-8-15/h3-10,22H,11-12H2,1-2H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.0669n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135478
PNG
(US8853258, 47)
Show SMILES CC(CCc1ccc(cc1)-c1ccc(CCCO)cc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C21H27NO5S/c1-21(20(24)22-25,28(2,26)27)14-13-17-7-11-19(12-8-17)18-9-5-16(6-10-18)4-3-15-23/h5-12,23,25H,3-4,13-15H2,1-2H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.132n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135479
PNG
(US8853258, 50)
Show SMILES CC(CCc1ccc(cc1)-c1ccccc1F)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C18H20FNO4S/c1-18(17(21)20-22,25(2,23)24)12-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)19/h3-10,22H,11-12H2,1-2H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.731n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135480
PNG
(US8853258, 51)
Show SMILES CC(CCc1ccc(cc1)-c1ccc(O)cc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C18H21NO5S/c1-18(17(21)19-22,25(2,23)24)12-11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,20,22H,11-12H2,1-2H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.922n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135481
PNG
(US8853258, 56)
Show SMILES CSc1cccc(c1)-c1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1/C19H23NO4S2/c1-19(18(21)20-22,26(3,23)24)12-11-14-7-9-15(10-8-14)16-5-4-6-17(13-16)25-2/h4-10,13,22H,11-12H2,1-3H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.417n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135483
PNG
(US8853258, 59)
Show SMILES CC(CCc1ccc(cc1)-c1cccc(Cl)c1Cl)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1/C18H19Cl2NO4S/c1-18(17(22)21-23,26(2,24)25)11-10-12-6-8-13(9-7-12)14-4-3-5-15(19)16(14)20/h3-9,23H,10-11H2,1-2H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.213n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135485
PNG
(US8853258, 63)
Show SMILES CC(C)Cc1ccc(cc1)-c1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1/C22H29NO4S/c1-16(2)15-18-7-11-20(12-8-18)19-9-5-17(6-10-19)13-14-22(3,21(24)23-25)28(4,26)27/h5-12,16,25H,13-15H2,1-4H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.356n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM135458
PNG
(US8853258, 1)
Show SMILES Cc1cc(ccc1CCC(C)(C(=O)NO)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1/C19H23NO4S/c1-14-13-17(16-7-5-4-6-8-16)10-9-15(14)11-12-19(2,18(21)20-22)25(3,23)24/h4-10,13,22H,11-12H2,1-3H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.68n/an/an/an/a8.0n/a



Pfizer Inc

US Patent


Assay Description
IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...


US Patent US8853258 (2014)


BindingDB Entry DOI: 10.7270/Q25M64DP
More data for this
Ligand-Target Pair