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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'MurD (S. aureus)'   
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
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM119107
PNG
(MurD/E inhibitor (compound 49))
Show SMILES OC(=O)CC[C@@H](NC(=O)c1cccc(NCc2ccc(C=C3SC(S)=NC3=O)cc2)c1)C(O)=O
Show InChI InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-2-1-3-16(11-15)24-12-14-6-4-13(5-7-14)10-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/t17-/m1/s1
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
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
UniProtKB/SwissProt

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



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221037
PNG
(CHEMBL87262)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Br)cc1
UniProtKB/SwissProt

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UniChem
n/an/a 3.02E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221022
PNG
(CHEMBL86525)
Show SMILES Oc1c2SCCc2nn1-c1cccc(Cl)c1
UniProtKB/SwissProt

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UniChem
n/an/a 3.28E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221032
PNG
(CHEMBL86526)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)[N+]([O-])=O
UniProtKB/SwissProt

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n/an/a 3.45E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221030
PNG
(CHEMBL313078)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)[N+]([O-])=O
UniProtKB/SwissProt

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n/an/a 3.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221020
PNG
(CHEMBL87126)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)C(F)(F)F
UniProtKB/SwissProt

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n/an/a 4.19E+4n/an/an/an/an/an/a



Wyeth Research

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Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221027
PNG
(CHEMBL327438)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C#N
UniProtKB/SwissProt

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n/an/a 4.52E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221018
PNG
(CHEMBL85772)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)cc1
UniProtKB/SwissProt

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UniChem
n/an/a 4.74E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221038
PNG
(CHEMBL87521)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)c(Cl)c1
UniProtKB/SwissProt

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UniChem
n/an/a 4.87E+4n/an/an/an/an/an/a



Wyeth Research

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Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221023
PNG
(CHEMBL84684)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)C#N
UniProtKB/SwissProt

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UniChem
n/an/a 4.93E+4n/an/an/an/an/an/a



Wyeth Research

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Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221033
PNG
(CHEMBL420601)
Show SMILES NC(=O)c1cccc(c1)-n1nc2CCSc2c1O
UniProtKB/SwissProt

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n/an/a 4.97E+4n/an/an/an/an/an/a



Wyeth Research

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Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221019
PNG
(CHEMBL87584)
Show SMILES CC1Cc2nn(c(O)c2S1)-c1ccc(Cl)cc1
UniProtKB/SwissProt

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UniChem
n/an/a 6.37E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221036
PNG
(CHEMBL315316)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C(F)(F)F
UniProtKB/SwissProt

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UniChem
n/an/a 6.63E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221026
PNG
(CHEMBL89482)
Show SMILES Oc1c2SCCc2nn1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
UniProtKB/SwissProt

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UniChem
n/an/a>7.05E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221025
PNG
(CHEMBL83021)
Show SMILES Oc1c2SC(Cc2nn1-c1ccc(Cl)cc1)c1ccccc1
UniProtKB/SwissProt

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UniChem
n/an/a 7.60E+4n/an/an/an/an/an/a



Wyeth Research

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Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221028
PNG
(CHEMBL87044)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F
UniProtKB/SwissProt

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UniChem
n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

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Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221024
PNG
(CHEMBL86851)
Show SMILES CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O
UniProtKB/SwissProt

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UniChem
n/an/a>9.11E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221031
PNG
(CHEMBL315456)
Show SMILES CC(C)c1ccc(cc1)-n1nc2CCSc2c1O
UniProtKB/SwissProt

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PC sid
UniChem
n/an/a>9.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221029
PNG
(CHEMBL87821)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1
UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 9.62E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221035
PNG
(CHEMBL86990)
Show SMILES Oc1c2SCCc2nn1-c1ccc(F)cc1
UniProtKB/SwissProt

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PC sid
UniChem
n/an/a>1.05E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair