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Compile Data Set for Download or QSAR

Found 10 hits of kd data for polymerid = 2826   
Target
(Institution)
LigandTarget
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
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM22858
PNG
(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
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n/an/an/a 6.81E+3n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25464
PNG
(6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-9H-...)
Show SMILES Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1
Show InChI InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)
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n/an/an/a 1.52E+4n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25469
PNG
(2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-o...)
Show SMILES [O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
Show InChI InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H
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n/an/an/a 1.95E+4n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25466
PNG
(N-(3-nitro-9-oxo-9H-fluoren-2-yl)acetamide | NSC60...)
Show SMILES CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O
Show InChI InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)
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n/an/an/a 3.18E+4n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25462
PNG
(2,3-dinitro-9H-fluoren-9-one | NSC133896)
Show SMILES [O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O
Show InChI InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H
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n/an/an/a 3.71E+4n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25468
PNG
(3,7-difluoro-2-nitro-9H-fluoren-9-one | NSC57476)
Show SMILES [O-][N+](=O)c1cc2C(=O)c3cc(F)ccc3-c2cc1F
Show InChI InChI=1S/C13H5F2NO3/c14-6-1-2-7-8-4-11(15)12(16(18)19)5-10(8)13(17)9(7)3-6/h1-5H
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n/an/an/a 4.46E+4n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25463
PNG
(2-(1,2,4-triazatriphenylen-3-ylsulfanyl)acetic aci...)
Show SMILES OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1
Show InChI InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)
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n/an/an/a 4.69E+4n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25467
PNG
(2,4-dinitro-9H-fluoren-9-one | NSC55545)
Show SMILES [O-][N+](=O)c1cc2C(=O)c3ccccc3-c2c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H6N2O5/c16-13-9-4-2-1-3-8(9)12-10(13)5-7(14(17)18)6-11(12)15(19)20/h1-6H
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n/an/an/a 4.81E+4n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25465
PNG
((1R,2R,5S,6S,10S,13S,15R)-5-acetyl-13-hydroxy-6,10...)
Show SMILES CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O
Show InChI InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1
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n/an/an/a 1.27E+5n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25460
PNG
(2-[(4-oxo-4H-triphenylene-11-)sulfinyl]acetic acid...)
Show SMILES OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23
Show InChI InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)
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PubMed
n/an/an/a 1.80E+5n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


Citation and Details
More data for this
Ligand-Target Pair