BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with Target = 'MurB (E. coli)' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM119080
PNG
(MurB inhibitor (compound 19))
Show SMILES [O-][N+](=O)c1cnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C10H6Cl2N4O3S/c11-6-2-1-5(3-7(6)12)14-9(17)15-10-13-4-8(20-10)16(18)19/h1-4H,(H2,13,14,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM119079
PNG
(MurB inhibitor (compound 18))
Show SMILES CC1(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H17Cl4N3O3/c1-24(13-21(32)29-20-11-6-16(27)12-19(20)28)22(33)30(17-7-2-14(25)3-8-17)31(23(24)34)18-9-4-15(26)5-10-18/h2-12H,13H2,1H3,(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195560
PNG
(4-(4-butoxybenzoyl)-1,2-bis(4-chlorophenyl)-5-hydr...)
Show SMILES CCCCOc1ccc(cc1)C(=O)c1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H22Cl2N2O4/c1-2-3-16-34-22-14-4-17(5-15-22)24(31)23-25(32)29(20-10-6-18(27)7-11-20)30(26(23)33)21-12-8-19(28)9-13-21/h4-15,32H,2-3,16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195550
PNG
(1,2-bis(3,4-dichlorophenyl)-5-hydroxy-3-oxo-2,3-di...)
Show SMILES Cc1ccc(NC(=O)c2c(O)n(-c3ccc(Cl)c(Cl)c3)n(-c3ccc(Cl)c(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C23H15Cl4N3O3/c1-12-2-4-13(5-3-12)28-21(31)20-22(32)29(14-6-8-16(24)18(26)10-14)30(23(20)33)15-7-9-17(25)19(27)11-15/h2-11,32H,1H3,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195576
PNG
(1,2-bis(3,4-dichlorophenyl)-5-hydroxy-3-oxo-2,3-di...)
Show SMILES Oc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H11Cl6N3O3/c23-13-4-1-10(7-16(13)26)29-20(32)19-21(33)30(11-2-5-14(24)17(27)8-11)31(22(19)34)12-3-6-15(25)18(28)9-12/h1-9,33H,(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166493
PNG
(4-(2-Benzylsulfanyl-ethyl)-1,2-bis-(4-chloro-pheny...)
Show SMILES Oc1c(CCSCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O2S/c25-18-6-10-20(11-7-18)27-23(29)22(14-15-31-16-17-4-2-1-3-5-17)24(30)28(27)21-12-8-19(26)9-13-21/h1-13,29H,14-16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195551
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-4-(4-trifluorome...)
Show SMILES Oc1c(C(=O)c2ccc(OC(F)(F)F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H13Cl2F3N2O4/c24-14-3-7-16(8-4-14)29-21(32)19(22(33)30(29)17-9-5-15(25)6-10-17)20(31)13-1-11-18(12-2-13)34-23(26,27)28/h1-12,32H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166480
PNG
(1,2-Bis-(4-chloro-phenyl)-4-[2-(4-fluoro-phenyl)-2...)
Show SMILES Oc1c(CC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl2FN2O3/c24-15-3-9-18(10-4-15)27-22(30)20(13-21(29)14-1-7-17(26)8-2-14)23(31)28(27)19-11-5-16(25)6-12-19/h1-12,30H,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195567
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...)
Show SMILES Oc1c(C(=O)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H13Cl2F3N2O3/c24-15-4-8-17(9-5-15)29-21(32)19(22(33)30(29)18-10-6-16(25)7-11-18)20(31)13-2-1-3-14(12-13)23(26,27)28/h1-12,32H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166500
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(4-phenyl-butyl)-pyraz...)
Show SMILES Oc1c(CCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22Cl2N2O2/c26-19-10-14-21(15-11-19)28-24(30)23(9-5-4-8-18-6-2-1-3-7-18)25(31)29(28)22-16-12-20(27)13-17-22/h1-3,6-7,10-17,30H,4-5,8-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195557
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...)
Show SMILES CC(C(=O)c1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrCl2N2O3/c1-14(15-2-4-16(25)5-3-15)22(30)21-23(31)28(19-10-6-17(26)7-11-19)29(24(21)32)20-12-8-18(27)9-13-20/h2-14,31H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166485
PNG
(1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...)
Show SMILES Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C31H18Cl2F4N2O4/c32-17-1-7-21(8-2-17)38-29(42)31(15-27(40)23-11-5-19(34)13-25(23)36,16-28(41)24-12-6-20(35)14-26(24)37)30(43)39(38)22-9-3-18(33)4-10-22/h1-14H,15-16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166485
PNG
(1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...)
Show SMILES Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C31H18Cl2F4N2O4/c32-17-1-7-21(8-2-17)38-29(42)31(15-27(40)23-11-5-19(34)13-25(23)36,16-28(41)24-12-6-20(35)14-26(24)37)30(43)39(38)22-9-3-18(33)4-10-22/h1-14H,15-16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195555
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-4-(thiophene-2-c...)
Show SMILES Oc1c(C(=O)c2cccs2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H12Cl2N2O3S/c21-12-3-7-14(8-4-12)23-19(26)17(18(25)16-2-1-11-28-16)20(27)24(23)15-9-5-13(22)6-10-15/h1-11,26H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50411199
PNG
(CHEMBL2096737)
Show SMILES Oc1c(C(=O)c2ccc(cc2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H13Cl2F3N2O3/c24-15-5-9-17(10-6-15)29-21(32)19(22(33)30(29)18-11-7-16(25)8-12-18)20(31)13-1-3-14(4-2-13)23(26,27)28/h1-12,32H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195564
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...)
Show SMILES Oc1c(C(=O)c2cccc(Cl)c2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O3/c23-14-4-8-17(9-5-14)26-21(29)19(20(28)13-2-1-3-16(25)12-13)22(30)27(26)18-10-6-15(24)7-11-18/h1-12,29H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195577
PNG
(4-(biphenyl-4-carbonyl)-1,2-bis(4-chlorophenyl)-5-...)
Show SMILES Oc1c(C(=O)c2ccc(cc2)-c2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18Cl2N2O3/c29-21-10-14-23(15-11-21)31-27(34)25(28(35)32(31)24-16-12-22(30)13-17-24)26(33)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,34H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166475
PNG
(1,2-Bis-(4-chloro-phenyl)-4,4-bis-(6-phenyl-hexyl)...)
Show SMILES Clc1ccc(cc1)N1N(C(=O)C(CCCCCCc2ccccc2)(CCCCCCc2ccccc2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C39H42Cl2N2O2/c40-33-21-25-35(26-22-33)42-37(44)39(38(45)43(42)36-27-23-34(41)24-28-36,29-13-3-1-7-15-31-17-9-5-10-18-31)30-14-4-2-8-16-32-19-11-6-12-20-32/h5-6,9-12,17-28H,1-4,7-8,13-16,29-30H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166499
PNG
(4,4-Bis-(2-benzyloxy-ethyl)-1,2-bis-(4-chloro-phen...)
Show SMILES Clc1ccc(cc1)N1N(C(=O)C(CCOCc2ccccc2)(CCOCc2ccccc2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H30Cl2N2O4/c34-27-11-15-29(16-12-27)36-31(38)33(19-21-40-23-25-7-3-1-4-8-25,20-22-41-24-26-9-5-2-6-10-26)32(39)37(36)30-17-13-28(35)14-18-30/h1-18H,19-24H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM119077
PNG
(MurB inhibitor (compound 14))
Show SMILES CCCC[C@@H](C(O)=O)n1c(cn(Cc2ccccc2)c1=O)-c1cccc(Oc2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C32H36N2O4/c1-5-6-15-28(30(35)36)34-29(22-33(31(34)37)21-23-11-8-7-9-12-23)24-13-10-14-27(20-24)38-26-18-16-25(17-19-26)32(2,3)4/h7-14,16-20,22,28H,5-6,15,21H2,1-4H3,(H,35,36)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM119076
PNG
(MurB inhibitor (compound 13))
Show SMILES CCCC[C@H](N1C(SCC1=O)c1cccc(Oc2ccc(cc2)C(C)(C)C)c1)C(O)=O
Show InChI InChI=1S/C25H31NO4S/c1-5-6-10-21(24(28)29)26-22(27)16-31-23(26)17-8-7-9-20(15-17)30-19-13-11-18(12-14-19)25(2,3)4/h7-9,11-15,21,23H,5-6,10,16H2,1-4H3,(H,28,29)/t21-,23?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50411198
PNG
(CHEMBL2096734)
Show SMILES Oc1c(C(=O)C2CCCCC2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl2N2O3/c23-15-6-10-17(11-7-15)25-21(28)19(20(27)14-4-2-1-3-5-14)22(29)26(25)18-12-8-16(24)9-13-18/h6-14,28H,1-5H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195549
PNG
(1,2-bis(3-chlorophenyl)-3,5-dioxopyrazolidine-4-ca...)
Show SMILES Oc1c(C(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2cccc(Cl)c2)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H14Cl3N3O3/c23-13-7-9-16(10-8-13)26-20(29)19-21(30)27(17-5-1-3-14(24)11-17)28(22(19)31)18-6-2-4-15(25)12-18/h1-12,30H,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195561
PNG
(1,2-bis(3-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...)
Show SMILES Oc1c(C(=O)Nc2ccc(cc2)C(F)(F)F)c(=O)n(-c2cccc(Cl)c2)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C23H14Cl2F3N3O3/c24-14-3-1-5-17(11-14)30-21(33)19(22(34)31(30)18-6-2-4-15(25)12-18)20(32)29-16-9-7-13(8-10-16)23(26,27)28/h1-12,33H,(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166478
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(6-phenyl-hexyl)-pyraz...)
Show SMILES Oc1c(CCCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O2/c28-21-12-16-23(17-13-21)30-26(32)25(27(33)31(30)24-18-14-22(29)15-19-24)11-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-10,12-19,32H,1-2,4,7-8,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195572
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...)
Show SMILES Oc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2O3/c25-17-7-11-19(12-8-17)27-23(30)22(21(29)15-6-16-4-2-1-3-5-16)24(31)28(27)20-13-9-18(26)10-14-20/h1-5,7-14,30H,6,15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195585
PNG
(1,2-bis(4-chlorophenyl)-3,5-dioxo-N-phenylpyrazoli...)
Show SMILES Oc1c(C(=O)c2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl2N2O3/c23-15-6-10-17(11-7-15)25-21(28)19(20(27)14-4-2-1-3-5-14)22(29)26(25)18-12-8-16(24)9-13-18/h1-13,28H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166497
PNG
(1,2-Bis-(4-chloro-phenyl)-4-[4-(4-fluoro-phenyl)-4...)
Show SMILES Oc1c(CCCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2FN2O3/c26-17-6-12-20(13-7-17)29-24(32)22(25(33)30(29)21-14-8-18(27)9-15-21)2-1-3-23(31)16-4-10-19(28)11-5-16/h4-15,32H,1-3H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166495
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(5-phenyl-pentyl)-pyra...)
Show SMILES Oc1c(CCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24Cl2N2O2/c27-20-11-15-22(16-12-20)29-25(31)24(10-6-2-5-9-19-7-3-1-4-8-19)26(32)30(29)23-17-13-21(28)14-18-23/h1,3-4,7-8,11-18,31H,2,5-6,9-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50411197
PNG
(CHEMBL2096735)
Show SMILES COc1ccc(cc1)C(=O)c1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H16Cl2N2O4/c1-31-19-12-2-14(3-13-19)21(28)20-22(29)26(17-8-4-15(24)5-9-17)27(23(20)30)18-10-6-16(25)7-11-18/h2-13,29H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166498
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(3-phenyl-propyl)-pyra...)
Show SMILES Oc1c(CCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O2/c25-18-9-13-20(14-10-18)27-23(29)22(8-4-7-17-5-2-1-3-6-17)24(30)28(27)21-15-11-19(26)12-16-21/h1-3,5-6,9-16,29H,4,7-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166483
PNG
(4-(2-Benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-py...)
Show SMILES Oc1c(CCOCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O3/c25-18-6-10-20(11-7-18)27-23(29)22(14-15-31-16-17-4-2-1-3-5-17)24(30)28(27)21-12-8-19(26)9-13-21/h1-13,29H,14-16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50411196
PNG
(CHEMBL2096736)
Show SMILES Oc1c(C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O3/c23-14-3-1-13(2-4-14)20(28)19-21(29)26(17-9-5-15(24)6-10-17)27(22(19)30)18-11-7-16(25)8-12-18/h1-12,29H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166496
PNG
(1-{4-[1,2-Bis-(4-chloro-phenyl)-3,5-dioxo-pyrazoli...)
Show SMILES Oc1c(Cc2ccc(cc2)C2(CC=CC=C2)C#N)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21Cl2N3O2/c30-22-8-12-24(13-9-22)33-27(35)26(28(36)34(33)25-14-10-23(31)11-15-25)18-20-4-6-21(7-5-20)29(19-32)16-2-1-3-17-29/h1-16,35H,17-18H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166486
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(2,4-dichloro-benzyl)-...)
Show SMILES Oc1c(Cc2ccc(Cl)cc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl4N2O2/c23-14-3-7-17(8-4-14)27-21(29)19(11-13-1-2-16(25)12-20(13)26)22(30)28(27)18-9-5-15(24)6-10-18/h1-10,12,29H,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166501
PNG
(4-(3,5-Bis-trifluoromethyl-benzyl)-1,2-bis-(4-chlo...)
Show SMILES Oc1c(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H14Cl2F6N2O2/c25-16-1-5-18(6-2-16)33-21(35)20(22(36)34(33)19-7-3-17(26)4-8-19)11-13-9-14(23(27,28)29)12-15(10-13)24(30,31)32/h1-10,12,35H,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195583
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...)
Show SMILES Oc1c(C(=O)c2ccccc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O3/c23-13-5-9-15(10-6-13)26-21(29)19(20(28)17-3-1-2-4-18(17)25)22(30)27(26)16-11-7-14(24)8-12-16/h1-12,29H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195566
PNG
(1,2-bis(4-chlorophenyl)-4-(3,4-dichlorobenzoyl)-5-...)
Show SMILES Oc1c(C(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H12Cl4N2O3/c23-13-2-6-15(7-3-13)27-21(30)19(20(29)12-1-10-17(25)18(26)11-12)22(31)28(27)16-8-4-14(24)5-9-16/h1-11,30H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166494
PNG
(1,2-Bis-(4-chloro-phenyl)-4-[3-(4-fluoro-phenyl)-3...)
Show SMILES Oc1c(CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H17Cl2FN2O3/c25-16-3-9-19(10-4-16)28-23(31)21(13-14-22(30)15-1-7-18(27)8-2-15)24(32)29(28)20-11-5-17(26)6-12-20/h1-12,31H,13-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195559
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...)
Show SMILES Oc1c(C(=O)c2ccc(cc2)C#N)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H13Cl2N3O3/c24-16-5-9-18(10-6-16)27-22(30)20(21(29)15-3-1-14(13-26)2-4-15)23(31)28(27)19-11-7-17(25)8-12-19/h1-12,30H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.31E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50411196
PNG
(CHEMBL2096736)
Show SMILES Oc1c(C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O3/c23-14-3-1-13(2-4-14)20(28)19-21(29)26(17-9-5-15(24)6-10-17)27(22(19)30)18-11-7-16(25)8-12-18/h1-12,29H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.37E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50411199
PNG
(CHEMBL2096737)
Show SMILES Oc1c(C(=O)c2ccc(cc2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H13Cl2F3N2O3/c24-15-5-9-17(10-6-15)29-21(32)19(22(33)30(29)18-11-7-16(25)8-12-18)20(31)13-1-3-14(4-2-13)23(26,27)28/h1-12,32H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50411197
PNG
(CHEMBL2096735)
Show SMILES COc1ccc(cc1)C(=O)c1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H16Cl2N2O4/c1-31-19-12-2-14(3-13-19)21(28)20-22(29)26(17-8-4-15(24)5-9-17)27(23(20)30)18-10-6-16(25)7-11-18/h2-13,29H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195562
PNG
(4-[1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dih...)
Show SMILES CCOC(=O)c1ccc(cc1)C(=O)c1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H18Cl2N2O5/c1-2-34-25(33)16-5-3-15(4-6-16)22(30)21-23(31)28(19-11-7-17(26)8-12-19)29(24(21)32)20-13-9-18(27)10-14-20/h3-14,31H,2H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.76E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166487
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(3-trifluoromethyl-ben...)
Show SMILES Oc1c(Cc2cccc(c2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl2F3N2O2/c24-16-4-8-18(9-5-16)29-21(31)20(13-14-2-1-3-15(12-14)23(26,27)28)22(32)30(29)19-10-6-17(25)7-11-19/h1-12,31H,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM119122
PNG
(MurA/B/C/D/E inhibitor (compound 67))
Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50166488
PNG
(4-(2-Benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-4-...)
Show SMILES CC1(CCOCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22Cl2N2O3/c1-25(15-16-32-17-18-5-3-2-4-6-18)23(30)28(21-11-7-19(26)8-12-21)29(24(25)31)22-13-9-20(27)10-14-22/h2-14H,15-17H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195584
PNG
(1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...)
Show SMILES Oc1c(C(=O)c2ccc(O)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl2N2O4/c23-14-3-7-16(8-4-14)25-21(29)19(20(28)13-1-11-18(27)12-2-13)22(30)26(25)17-9-5-15(24)6-10-17/h1-12,27,29H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.19E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50411198
PNG
(CHEMBL2096734)
Show SMILES Oc1c(C(=O)C2CCCCC2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl2N2O3/c23-15-6-10-17(11-7-15)25-21(28)19(20(27)14-4-2-1-3-5-14)22(29)26(25)18-12-8-16(24)9-13-18/h6-14,28H,1-5H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
MurB (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50195578
PNG
(1,2-bis(3,4-dichlorophenyl)pyrazolidine-3,5-dione ...)
Show SMILES Oc1cc(=O)n(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H8Cl4N2O2/c16-10-3-1-8(5-12(10)18)20-14(22)7-15(23)21(20)9-2-4-11(17)13(19)6-9/h1-7,22H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of MurB activity


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 72 total )  |  Next  |  Last  >>
Jump to: