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Compile Data Set for Download or QSAR

Found 12 hits of koff data for polymerid = 4353,49001149,49001152,49001166,4925,4986,50000014,50000479,50002450,5027,5045,5107,5336   
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
Carbonic anhydrase


(Bos taurus)
BDBM36003
PNG
(1-methyl-1H-imidazole-4-sulfonamide | SPR_7)
Show SMILES Cn1cnc(c1)S(N)(=O)=O
Show InChI InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
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n/an/an/a 3.53E+4n/a 4.65E+3 0.1647.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36005
PNG
(2,3-dihydro-1H-indole-5-sulfonamide | SPR_9)
Show SMILES NS(=O)(=O)c1ccc2NCCc2c1
Show InChI InChI=1S/C8H10N2O2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H2,9,11,12)
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n/an/an/a 3.11E+3n/a 1.88E+4 0.05857.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36001
PNG
(6-aminopyridine-3-sulfonamide | SPR_5)
Show SMILES Nc1ccc(cn1)S(N)(=O)=O
Show InChI InChI=1S/C5H7N3O2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H,(H2,6,8)(H2,7,9,10)
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n/an/an/a 1.08E+4n/a 1.88E+4 0.2037.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM35997
PNG
(1,4-dioxo-1,2,3,4-tetrahydro-1$l^{4},2,3-benzothia...)
Show SMILES O=C1NNS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H6N2O3S/c10-7-5-3-1-2-4-6(5)13(11,12)9-8-7/h1-4,9H,(H,8,10)
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n/an/an/a 3.89E+4n/a 4.99E+4 1.947.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36008
PNG
(2-amino-1,3-benzothiazole-6-sulfonamide | SPR_12)
Show SMILES Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12)
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n/an/an/a 383n/a 5.10E+4 0.01967.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM35999
PNG
(2-methylbenzene-1-sulfonamide | SPR_3)
Show SMILES Cc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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n/an/an/a 2.18E+3n/a 1.10E+5 0.2407.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36002
PNG
(2,3-dihydro-1,4-benzodioxine-6-sulfonamide | SPR_6)
Show SMILES NS(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C8H9NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,9,10,11)
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n/an/an/a 817n/a 1.34E+5 0.1097.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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n/an/an/a 4.26E+3n/a 1.43E+5 0.6117.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36004
PNG
(2,4-difluorobenzene-1-sulfonamide | SPR_8)
Show SMILES NS(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C6H5F2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
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n/an/an/a 394n/a 2.72E+5 0.1077.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36006
PNG
(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazole-5-s...)
Show SMILES CCCn1c2ccc(cc2[nH]c1=O)S(N)(=O)=O
Show InChI InChI=1S/C10H13N3O3S/c1-2-5-13-9-4-3-7(17(11,15)16)6-8(9)12-10(13)14/h3-4,6H,2,5H2,1H3,(H,12,14)(H2,11,15,16)
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n/an/an/a 197n/a 4.75E+5 0.09357.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36007
PNG
(3-chloro-5-fluoro-2-methylbenzene-1-sulfonamide | ...)
Show SMILES Cc1c(Cl)cc(F)cc1S(N)(=O)=O
Show InChI InChI=1S/C7H7ClFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
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n/an/an/a 96.8n/a 7.88E+5 0.07637.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36000
PNG
(3,5-dichlorobenzene-1-sulfonamide | SPR_4)
Show SMILES NS(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
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n/an/an/a 287n/a 9.02E+5 0.2597.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair