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Compile Data Set for Download or QSAR

Found 8 hits of ki data for polymerid = 5361   
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
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM93073
PNG
(ACS No 172)
Show SMILES [O-]C(=O)c1ccccc1Nc1ccccc1C([O-])=O
Show InChI InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)/p-2
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1.50E+3n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)

More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM93074
PNG
(ACS No 142)
Show SMILES Cc1cc(C)c(N)c(c1)C([O-])=O
Show InChI InChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)/p-1
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6.30E+3n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)

More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM93075
PNG
(ACS No 145)
Show SMILES COc1cc(N)c(cc1OC)C([O-])=O
Show InChI InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)/p-1
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1.50E+4n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)

More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM93076
PNG
(ACS No 174)
Show SMILES [O-]C(=O)c1ccccc1Cc1ccccc1
Show InChI InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)/p-1
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1.80E+4n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)

More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM93077
PNG
(ACS No 179)
Show SMILES COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C([O-])=O
Show InChI InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)/p-1
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1.90E+4n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)

More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM93078
PNG
(ACS No 126)
Show SMILES COc1ccc(cc1N)C([O-])=O
Show InChI InChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)/p-1
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UniChem
Article
PubMed
6.00E+4n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)

More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM93079
PNG
(ACS No 165)
Show SMILES NC(CCCNc1ccc(cc1N(=O)=O)[N+]([O-])=O)CC([O-])=O
Show InChI InChI=1S/C12H16N4O6/c13-8(6-12(17)18)2-1-5-14-10-4-3-9(15(19)20)7-11(10)16(21)22/h3-4,7-8,14H,1-2,5-6,13H2,(H,17,18)/p-1
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PubMed
7.90E+4n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)

More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM85513
PNG
(ACS No 10 | CAS_54-21-7 | NSC_5900 | Sodium salicy...)
Show SMILES Oc1ccccc1C([O-])=O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
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Article
PubMed
1.19E+5n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)

More data for this
Ligand-Target Pair