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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'al-bakri' and Initial = 'ag'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50371259
PNG
(CHEMBL272818)
Show SMILES Oc1ccc(cc1)C1CCc2sc(NC(=O)c3cc(c(Cl)cc3Cl)S(=O)(=O)N3CCOCC3)c(C#N)c2C1
Show InChI InChI=1S/C26H23Cl2N3O5S2/c27-21-13-22(28)24(38(34,35)31-7-9-36-10-8-31)12-19(21)25(33)30-26-20(14-29)18-11-16(3-6-23(18)37-26)15-1-4-17(32)5-2-15/h1-2,4-5,12-13,16,32H,3,6-11H2,(H,30,33)
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n/an/a 22n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50371261
PNG
(CHEMBL272248)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCC(Cc2c1C#N)c1ccc(O)cc1
Show InChI InChI=1S/C26H26ClN3O4S2/c1-3-30(4-2)36(33,34)19-10-11-23(27)21(14-19)25(32)29-26-22(15-28)20-13-17(7-12-24(20)35-26)16-5-8-18(31)9-6-16/h5-6,8-11,14,17,31H,3-4,7,12-13H2,1-2H3,(H,29,32)
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n/an/a 54n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50371258
PNG
(CHEMBL271972)
Show SMILES CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3CCC(Cc3c2C#N)c2ccc(O)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C26H25Cl2N3O4S2/c1-3-31(4-2)37(34,35)24-12-19(21(27)13-22(24)28)25(33)30-26-20(14-29)18-11-16(7-10-23(18)36-26)15-5-8-17(32)9-6-15/h5-6,8-9,12-13,16,32H,3-4,7,10-11H2,1-2H3,(H,30,33)
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n/an/a 67n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50371262
PNG
(CHEMBL411672)
Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1sc2CCC(Cc2c1C#N)c1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C26H23Cl2N3O4S2/c27-21-14-22(28)24(37(33,34)31-8-10-35-11-9-31)13-19(21)25(32)30-26-20(15-29)18-12-17(6-7-23(18)36-26)16-4-2-1-3-5-16/h1-5,13-14,17H,6-12H2,(H,30,32)
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n/an/a 70n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137760
PNG
(2,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[...)
Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H17Cl2N3O4S2/c20-14-9-15(21)17(30(26,27)24-4-6-28-7-5-24)8-12(14)18(25)23-19-13(10-22)11-2-1-3-16(11)29-19/h8-9H,1-7H2,(H,23,25)
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n/an/a 300n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137759
PNG
(2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thi...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C20H22ClN3O3S2/c1-3-24(4-2)29(26,27)13-9-10-17(21)15(11-13)19(25)23-20-16(12-22)14-7-5-6-8-18(14)28-20/h9-11H,3-8H2,1-2H3,(H,23,25)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50371264
PNG
(CHEMBL258811)
Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H20ClN3O3S2/c21-17-8-7-13(29(26,27)24-9-2-1-3-10-24)11-15(17)19(25)23-20-16(12-22)14-5-4-6-18(14)28-20/h7-8,11H,1-6,9-10H2,(H,23,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137761
PNG
(2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohep...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C21H24ClN3O3S2/c1-3-25(4-2)30(27,28)14-10-11-18(22)16(12-14)20(26)24-21-17(13-23)15-8-6-5-7-9-19(15)29-21/h10-12H,3-9H2,1-2H3,(H,24,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137783
PNG
(2-Chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohep...)
Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H22ClN3O4S2/c22-18-7-6-14(31(27,28)25-8-10-29-11-9-25)12-16(18)20(26)24-21-17(13-23)15-4-2-1-3-5-19(15)30-21/h6-7,12H,1-5,8-11H2,(H,24,26)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 2)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 4.20E+3n/an/an/an/a7.837



University of Jordan



Assay Description
The reverse transcriptase inhibitory activity of compound was evaluated by a non-radioactive colorimetric assay method. This procedure uses RT to sy...


Chem Biol Drug Des 74: 258-65 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00852.x
BindingDB Entry DOI: 10.7270/Q2CV4G6N
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137756
PNG
(2-Bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thi...)
Show SMILES Brc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H18BrN3O4S2/c20-16-5-4-12(29(25,26)23-6-8-27-9-7-23)10-14(16)18(24)22-19-15(11-21)13-2-1-3-17(13)28-19/h4-5,10H,1-3,6-9H2,(H,22,24)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137780
PNG
(2,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3CCCc3c2C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N3O3S2/c1-3-24(4-2)29(26,27)17-8-12(14(20)9-15(17)21)18(25)23-19-13(10-22)11-6-5-7-16(11)28-19/h8-9H,3-7H2,1-2H3,(H,23,25)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50371263
PNG
(CHEMBL409244)
Show SMILES Clc1ccc(cc1C(=O)Nc1sc(CCc2ccncc2)cc1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H21ClN4O4S2/c24-21-4-3-19(34(30,31)28-9-11-32-12-10-28)14-20(21)22(29)27-23-17(15-25)13-18(33-23)2-1-16-5-7-26-8-6-16/h3-8,13-14H,1-2,9-12H2,(H,27,29)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50371260
PNG
(CHEMBL271135)
Show SMILES CCOC(=O)C1CCc2sc(NC(=O)c3cc(ccc3Cl)S(=O)(=O)N(CC)CC)c(C#N)c2C1
Show InChI InChI=1S/C23H26ClN3O5S2/c1-4-27(5-2)34(30,31)15-8-9-19(24)17(12-15)21(28)26-22-18(13-25)16-11-14(23(29)32-6-3)7-10-20(16)33-22/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,26,28)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137779
PNG
(2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES Fc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C19H17ClFN3O4S2/c20-14-9-15(21)17(30(26,27)24-4-6-28-7-5-24)8-12(14)18(25)23-19-13(10-22)11-2-1-3-16(11)29-19/h8-9H,1-7H2,(H,23,25)
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n/an/a>6.40E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137781
PNG
(2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES OCCCNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C18H18ClN3O4S2/c19-15-6-5-11(28(25,26)21-7-2-8-23)9-13(15)17(24)22-18-14(10-20)12-3-1-4-16(12)27-18/h5-6,9,21,23H,1-4,7-8H2,(H,22,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137757
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H18ClN3O4S2/c20-16-5-4-12(29(25,26)23-6-8-27-9-7-23)10-14(16)18(24)22-19-15(11-21)13-2-1-3-17(13)28-19/h4-5,10H,1-3,6-9H2,(H,22,24)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM81629
PNG
(MurF inhibitor, 13)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc(Br)cc1C#N
Show InChI InChI=1S/C16H15BrClN3O3S2/c1-3-21(4-2)26(23,24)11-5-6-13(18)12(8-11)15(22)20-16-10(9-19)7-14(17)25-16/h5-8H,3-4H2,1-2H3,(H,20,22)
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137766
PNG
(2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C16H14ClN3O3S2/c1-19-25(22,23)9-5-6-13(17)11(7-9)15(21)20-16-12(8-18)10-3-2-4-14(10)24-16/h5-7,19H,2-4H2,1H3,(H,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 2)
BDBM82099
PNG
(NCI Code, 14129)
Show SMILES CCCCCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C13H20N4O2/c1-4-5-6-7-8-9-14-10-11(15-9)16(2)13(19)17(3)12(10)18/h4-8H2,1-3H3,(H,14,15)
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PubMed
n/an/a 1.89E+4n/an/an/an/a7.837



University of Jordan



Assay Description
The reverse transcriptase inhibitory activity of compound was evaluated by a non-radioactive colorimetric assay method. This procedure uses RT to sy...


Chem Biol Drug Des 74: 258-65 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00852.x
BindingDB Entry DOI: 10.7270/Q2CV4G6N
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM81625
PNG
(MurF inhibitor, 4)
Show SMILES OCCCCNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C19H20ClN3O4S2/c20-16-7-6-12(29(26,27)22-8-1-2-9-24)10-14(16)18(25)23-19-15(11-21)13-4-3-5-17(13)28-19/h6-7,10,22,24H,1-5,8-9H2,(H,23,25)
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137770
PNG
(2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H16ClN3O3S2/c22-18-10-9-14(30(27,28)25-13-5-2-1-3-6-13)11-16(18)20(26)24-21-17(12-23)15-7-4-8-19(15)29-21/h1-3,5-6,9-11,25H,4,7-8H2,(H,24,26)
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PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 2)
BDBM82100
PNG
(NCI Code, 6050)
Show SMILES CCCCN(CCCC)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H21Cl2NO/c1-3-5-9-18(10-6-4-2)15(19)13-8-7-12(16)11-14(13)17/h7-8,11H,3-6,9-10H2,1-2H3
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PubMed
n/an/a 3.13E+4n/an/an/an/a7.837



University of Jordan



Assay Description
The reverse transcriptase inhibitory activity of compound was evaluated by a non-radioactive colorimetric assay method. This procedure uses RT to sy...


Chem Biol Drug Des 74: 258-65 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00852.x
BindingDB Entry DOI: 10.7270/Q2CV4G6N
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137767
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CNc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C20H21ClN4O4S2/c1-23-16-10-15(21)13(9-18(16)31(27,28)25-5-7-29-8-6-25)19(26)24-20-14(11-22)12-3-2-4-17(12)30-20/h9-10,23H,2-8H2,1H3,(H,24,26)
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137782
PNG
(2-(2-chloro-5-diethylsulfamoyl-benzoylamino)-5,6-d...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C(N)=O
Show InChI InChI=1S/C19H22ClN3O4S2/c1-3-23(4-2)29(26,27)11-8-9-14(20)13(10-11)18(25)22-19-16(17(21)24)12-6-5-7-15(12)28-19/h8-10H,3-7H2,1-2H3,(H2,21,24)(H,22,25)
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137764
PNG
(CHEMBL431263 | N-(3-cyano-5,6-dihydro-4H-cyclopent...)
Show SMILES CN(C)CCCNc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H31N5O4S2/c1-28(2)10-4-9-26-21-8-7-17(35(31,32)29-11-13-33-14-12-29)15-19(21)23(30)27-24-20(16-25)18-5-3-6-22(18)34-24/h7-8,15,26H,3-6,9-14H2,1-2H3,(H,27,30)
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PubMed
n/an/a 7.40E+4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM81627
PNG
(MurF inhibitor, 6)
Show SMILES NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C15H12ClN3O3S2/c16-12-5-4-8(24(18,21)22)6-10(12)14(20)19-15-11(7-17)9-2-1-3-13(9)23-15/h4-6H,1-3H2,(H,19,20)(H2,18,21,22)
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PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 2)
BDBM82101
PNG
(NCI Code, 4179)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H10Cl2O3S/c1-9-2-5-11(6-3-9)19(16,17)18-13-7-4-10(14)8-12(13)15/h2-8H,1H3
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PubMed
n/an/a 8.71E+4n/an/an/an/a7.837



University of Jordan



Assay Description
The reverse transcriptase inhibitory activity of compound was evaluated by a non-radioactive colorimetric assay method. This procedure uses RT to sy...


Chem Biol Drug Des 74: 258-65 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00852.x
BindingDB Entry DOI: 10.7270/Q2CV4G6N
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137755
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES OCCCNc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C22H25ClN4O5S2/c23-17-12-18(25-5-2-8-28)20(34(30,31)27-6-9-32-10-7-27)11-15(17)21(29)26-22-16(13-24)14-3-1-4-19(14)33-22/h11-12,25,28H,1-10H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137785
PNG
(2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CN(C)CCCNc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C24H30ClN5O4S2/c1-29(2)8-4-7-27-20-14-19(25)17(13-22(20)36(32,33)30-9-11-34-12-10-30)23(31)28-24-18(15-26)16-5-3-6-21(16)35-24/h13-14,27H,3-12H2,1-2H3,(H,28,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137774
PNG
(CHEMBL313359 | N-(3-Aminomethyl-5,6-dihydro-4H-cyc...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1CN
Show InChI InChI=1S/C19H24ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7,11,21H2,1-2H3,(H,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137771
PNG
(CHEMBL90131 | N-[3-(Acetylamino-methyl)-5,6-dihydr...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1CNC(C)=O
Show InChI InChI=1S/C21H26ClN3O4S2/c1-4-25(5-2)31(28,29)14-9-10-18(22)16(11-14)20(27)24-21-17(12-23-13(3)26)15-7-6-8-19(15)30-21/h9-11H,4-8,12H2,1-3H3,(H,23,26)(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137765
PNG
(2-(2-Chloro-5-diethylsulfamoyl-benzoylamino)-5,6-d...)
Show SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)S(=O)(=O)N(CC)CC)sc2CCCc12
Show InChI InChI=1S/C21H25ClN2O5S2/c1-4-24(5-2)31(27,28)13-10-11-16(22)15(12-13)19(25)23-20-18(21(26)29-6-3)14-8-7-9-17(14)30-20/h10-12H,4-9H2,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137776
PNG
(CHEMBL91833 | N-(3-Cyano-5,6-dihydro-4H-cyclopenta...)
Show SMILES CN(C)c1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O4S2/c1-24(2)18-7-6-14(31(27,28)25-8-10-29-11-9-25)12-16(18)20(26)23-21-17(13-22)15-4-3-5-19(15)30-21/h6-7,12H,3-5,8-11H2,1-2H3,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137777
PNG
(CHEMBL89936 | N-(3-cyano-5,6-dihydro-4H-cyclopenta...)
Show SMILES CC(COc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C28H29N3O5S2/c1-19(20-6-3-2-4-7-20)18-36-25-11-10-21(38(33,34)31-12-14-35-15-13-31)16-23(25)27(32)30-28-24(17-29)22-8-5-9-26(22)37-28/h2-4,6-7,10-11,16,19H,5,8-9,12-15,18H2,1H3,(H,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137763
PNG
(CHEMBL93340 | N-(3-cyano-5,6-dihydro-4H-cyclopenta...)
Show SMILES O=C(Nc1sc2CCCc2c1C#N)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4S2/c20-12-16-15-5-2-6-17(15)27-19(16)21-18(23)13-3-1-4-14(11-13)28(24,25)22-7-9-26-10-8-22/h1,3-4,11H,2,5-10H2,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137784
PNG
(4-Chloro-3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]t...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(CNc2sc3CCCc3c2C#N)c1
Show InChI InChI=1S/C19H22ClN3O2S2/c1-3-23(4-2)27(24,25)14-8-9-17(20)13(10-14)12-22-19-16(11-21)15-6-5-7-18(15)26-19/h8-10,22H,3-7,12H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137773
PNG
(4-Chloro-3-[1-(3-cyano-5,6-dihydro-4H-cyclopenta[b...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(C)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C20H24ClN3O2S2/c1-4-24(5-2)28(25,26)14-9-10-18(21)16(11-14)13(3)23-20-17(12-22)15-7-6-8-19(15)27-20/h9-11,13,23H,4-8H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137754
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C)c1sc2CCCc2c1C#N
Show InChI InChI=1S/C20H22ClN3O3S2/c1-4-24(5-2)29(26,27)13-9-10-17(21)15(11-13)19(25)23(3)20-16(12-22)14-7-6-8-18(14)28-20/h9-11H,4-8H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137772
PNG
(CHEMBL91823 | N-(3-Cyano-5,6-dihydro-4H-cyclopenta...)
Show SMILES CCOc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c1-2-29-18-7-6-14(31(26,27)24-8-10-28-11-9-24)12-16(18)20(25)23-21-17(13-22)15-4-3-5-19(15)30-21/h6-7,12H,2-5,8-11H2,1H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Pseudomonas aeruginosa)
BDBM50371266
PNG
(CHEMBL257681 | NSC-647089)
Show SMILES COc1ccc(NC(=O)C(=O)Cc2nc3ccc(cc3[nH]c2=O)[N+]([O-])=O)c(OC)c1
Show InChI InChI=1S/C19H16N4O7/c1-29-11-4-6-13(17(8-11)30-2)21-19(26)16(24)9-15-18(25)22-14-7-10(23(27)28)3-5-12(14)20-15/h3-8H,9H2,1-2H3,(H,21,26)(H,22,25)
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM81628
PNG
(MurF inhibitor, 12)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sccc1C#N
Show InChI InChI=1S/C16H16ClN3O3S2/c1-3-20(4-2)25(22,23)12-5-6-14(17)13(9-12)15(21)19-16-11(10-18)7-8-24-16/h5-9H,3-4H2,1-2H3,(H,19,21)
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n/an/a 1.51E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae MurF


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Pseudomonas aeruginosa)
BDBM50371270
PNG
(CHEMBL270498 | NSC-110084)
Show SMILES O=C1C=CC(=O)C(SCCCSC2=CC(=O)C(SCCCSC3=CC(=O)C=CC3=O)=CC2=O)=C1
Show InChI InChI=1S/C24H20O6S4/c25-15-3-5-17(27)21(11-15)31-7-1-9-33-23-13-20(30)24(14-19(23)29)34-10-2-8-32-22-12-16(26)4-6-18(22)28/h3-6,11-14H,1-2,7-10H2
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Pseudomonas aeruginosa)
BDBM50371269
PNG
(CHEMBL412137 | NSC-201703)
Show SMILES COc1ccc(CCN2C(=O)c3cccc4c(Sc5ccccc5[N+]([O-])=O)ccc(C2=O)c34)cc1OC
Show InChI InChI=1S/C28H22N2O6S/c1-35-22-12-10-17(16-23(22)36-2)14-15-29-27(31)19-7-5-6-18-24(13-11-20(26(18)19)28(29)32)37-25-9-4-3-8-21(25)30(33)34/h3-13,16H,14-15H2,1-2H3
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n/an/a 3.25E+5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 2)
BDBM82102
PNG
(NCI Code, 6927)
Show SMILES CCCC(=O)Oc1ccc(cc1Br)C(C)(C)C
Show InChI InChI=1S/C14H19BrO2/c1-5-6-13(16)17-12-8-7-10(9-11(12)15)14(2,3)4/h7-9H,5-6H2,1-4H3
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n/an/a 3.35E+5n/an/an/an/a7.837



University of Jordan



Assay Description
The reverse transcriptase inhibitory activity of compound was evaluated by a non-radioactive colorimetric assay method. This procedure uses RT to sy...


Chem Biol Drug Des 74: 258-65 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00852.x
BindingDB Entry DOI: 10.7270/Q2CV4G6N
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Pseudomonas aeruginosa)
BDBM50371274
PNG
(CHEMBL270113 | NSC-23448)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1C2CC(C=C2)C1C(O)=O
Show InChI InChI=1S/C30H38O8/c1-28-9-7-18(31)12-17(28)5-6-19-20-8-10-30(37,29(20,2)13-21(32)25(19)28)22(33)14-38-27(36)24-16-4-3-15(11-16)23(24)26(34)35/h3-4,12,15-16,19-21,23-25,32,37H,5-11,13-14H2,1-2H3,(H,34,35)/t15?,16?,19-,20-,21-,23?,24?,25+,28-,29-,30-/m0/s1
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n/an/a 4.30E+6n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Pseudomonas aeruginosa)
BDBM50371273
PNG
(CHEMBL429595 | NSC-110393)
Show SMILES CSc1ncnc2n(CC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]34C)cnc12
Show InChI InChI=1S/C27H34N4O4S/c1-25-8-6-16(32)10-15(25)4-5-17-18-7-9-27(35,26(18,2)11-19(33)21(17)25)20(34)12-31-14-30-22-23(31)28-13-29-24(22)36-3/h10,13-14,17-19,21,33,35H,4-9,11-12H2,1-3H3/t17-,18-,19-,21+,25-,26-,27-/m0/s1
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n/an/a 4.80E+6n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Pseudomonas aeruginosa)
BDBM50371272
PNG
(CHEMBL271393 | NSC-35952)
Show SMILES Clc1ccc(cc1)S(=O)(=O)SC(=S)NCCNC(=S)SS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14Cl2N2O4S6/c17-11-1-5-13(6-2-11)29(21,22)27-15(25)19-9-10-20-16(26)28-30(23,24)14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,25)(H,20,26)
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n/an/a>5.00E+6n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Pseudomonas aeruginosa)
BDBM50371265
PNG
(Cortef | HYDROCORTISONE CYPIONATE | Hydrocortisone...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1
Show InChI InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Pseudomonas aeruginosa)
BDBM50371275
PNG
(CHEMBL270112 | NSC-17251)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)c1cc(ccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C28H32ClNO8/c1-26-9-7-17(31)11-15(26)3-5-18-20-8-10-28(35,27(20,2)13-22(32)24(18)26)23(33)14-38-25(34)19-12-16(30(36)37)4-6-21(19)29/h4,6,11-12,18,20,22,24,32,35H,3,5,7-10,13-14H2,1-2H3/t18-,20-,22-,24+,26-,27-,28-/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay


Bioorg Med Chem 16: 1218-35 (2008)


Article DOI: 10.1016/j.bmc.2007.10.076
BindingDB Entry DOI: 10.7270/Q2VX0HCT
More data for this
Ligand-Target Pair
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