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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'williams' and Initial = 'al'   
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
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316366
PNG
(US9617239, BRITE-354972)
Show SMILES Cc1ccc(Oc2ccc(s2)S(=O)(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C22H19NO3S2/c1-16-9-11-19(12-10-16)26-21-13-14-22(27-21)28(24,25)23-15-18-7-4-6-17-5-2-3-8-20(17)18/h2-14,23H,15H2,1H3
PDB

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n/an/a<1n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316467
PNG
(US9617239, BRITE-492808)
Show SMILES Cc1cccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
Show InChI InChI=1S/C22H24ClN3O3S2/c1-16-4-2-5-17(12-16)15-25-31(27,28)21-14-20(23)22(30-21)29-19-7-3-6-18(13-19)26-10-8-24-9-11-26/h2-7,12-14,24-25H,8-11,15H2,1H3
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n/an/a 30n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316459
PNG
(US9617239, BRITE-492802)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21Cl2N3O3S2/c22-16-6-4-15(5-7-16)14-25-31(27,28)20-13-19(23)21(30-20)29-18-3-1-2-17(12-18)26-10-8-24-9-11-26/h1-7,12-13,24-25H,8-11,14H2
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n/an/a 30n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316468
PNG
(US9617239, BRITE-492809)
Show SMILES Fc1cccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
Show InChI InChI=1S/C21H21ClFN3O3S2/c22-19-13-20(31(27,28)25-14-15-3-1-4-16(23)11-15)30-21(19)29-18-6-2-5-17(12-18)26-9-7-24-8-10-26/h1-6,11-13,24-25H,7-10,14H2
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n/an/a 40n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316461
PNG
(US9617239, BRITE-492805)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C21H21Cl2N3O3S2/c22-18-7-2-1-4-15(18)14-25-31(27,28)20-13-19(23)21(30-20)29-17-6-3-5-16(12-17)26-10-8-24-9-11-26/h1-7,12-13,24-25H,8-11,14H2
PDB

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n/an/a 40n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316456
PNG
(US9617239, BRITE-492799)
Show SMILES COc1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
Show InChI InChI=1S/C21H22ClN3O4S2/c1-28-17-6-2-4-15(12-17)24-31(26,27)20-14-19(22)21(30-20)29-18-7-3-5-16(13-18)25-10-8-23-9-11-25/h2-7,12-14,23-24H,8-11H2,1H3
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n/an/a 70n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316457
PNG
(US9617239, BRITE-492800)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C20H19Cl2N3O3S2/c21-14-3-1-4-15(11-14)24-30(26,27)19-13-18(22)20(29-19)28-17-6-2-5-16(12-17)25-9-7-23-8-10-25/h1-6,11-13,23-24H,7-10H2
PDB

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n/an/a 70n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316454
PNG
(US9617239, BRITE-492797)
Show SMILES O=S(=O)(NCc1cccc2ccccc12)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C25H25N3O3S2/c29-33(30,27-18-20-7-3-6-19-5-1-2-10-23(19)20)25-12-11-24(32-25)31-22-9-4-8-21(17-22)28-15-13-26-14-16-28/h1-12,17,26-27H,13-16,18H2
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n/an/a 90n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316368
PNG
(US9617239, BRITE-355252)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C25H24ClN3O3S2/c26-23-16-24(34(30,31)28-17-19-7-3-6-18-5-1-2-10-22(18)19)33-25(23)32-21-9-4-8-20(15-21)29-13-11-27-12-14-29/h1-10,15-16,27-28H,11-14,17H2
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n/an/a 90n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316367
PNG
(US9617239, BRITE-355123)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H21Cl2N3O3S2/c22-16-4-1-3-15(11-16)14-25-31(27,28)20-13-19(23)21(30-20)29-18-6-2-5-17(12-18)26-9-7-24-8-10-26/h1-6,11-13,24-25H,7-10,14H2
PDB

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n/an/a 90n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316460
PNG
(US9617239, BRITE-492803)
Show SMILES COc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc1
Show InChI InChI=1S/C22H24ClN3O4S2/c1-29-18-7-5-16(6-8-18)15-25-32(27,28)21-14-20(23)22(31-21)30-19-4-2-3-17(13-19)26-11-9-24-10-12-26/h2-8,13-14,24-25H,9-12,15H2,1H3
PDB

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n/an/a 100n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316453
PNG
(US9617239, BRITE-492796)
Show SMILES CN(Cc1cccc2ccccc12)S(=O)(=O)c1cc(Cl)c(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C26H26ClN3O3S2/c1-29(18-20-8-4-7-19-6-2-3-11-23(19)20)35(31,32)25-17-24(27)26(34-25)33-22-10-5-9-21(16-22)30-14-12-28-13-15-30/h2-11,16-17,28H,12-15,18H2,1H3
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n/an/a 120n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316369
PNG
(US9617239, BRITE-354975)
Show SMILES O=S(=O)(NCCN1CCCC1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C20H28N4O3S2/c25-29(26,22-10-13-23-11-1-2-12-23)20-7-6-19(28-20)27-18-5-3-4-17(16-18)24-14-8-21-9-15-24/h3-7,16,21-22H,1-2,8-15H2
PDB

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n/an/a 120n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316466
PNG
(US9617239, BRITE-492807)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H20Cl3N3O3S2/c22-15-8-14(9-16(23)10-15)13-26-32(28,29)20-12-19(24)21(31-20)30-18-3-1-2-17(11-18)27-6-4-25-5-7-27/h1-3,8-12,25-26H,4-7,13H2
PDB

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n/an/a 130n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316370
PNG
(US9617239, BRITE-354989)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C19H28N4O3S2/c1-22(2)12-4-9-21-28(24,25)19-8-7-18(27-19)26-17-6-3-5-16(15-17)23-13-10-20-11-14-23/h3,5-8,15,20-21H,4,9-14H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316371
PNG
(US9617239, BRITE-354909)
Show SMILES COc1ccc(NS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc1
Show InChI InChI=1S/C21H22ClN3O4S2/c1-28-17-7-5-15(6-8-17)24-31(26,27)20-14-19(22)21(30-20)29-18-4-2-3-16(13-18)25-11-9-23-10-12-25/h2-8,13-14,23-24H,9-12H2,1H3
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n/an/a 170n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316372
PNG
(US9617239, BRITE-354725)
Show SMILES COc1ccc(CCNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc1OC
Show InChI InChI=1S/C24H28ClN3O5S2/c1-31-21-7-6-17(14-22(21)32-2)8-9-27-35(29,30)23-16-20(25)24(34-23)33-19-5-3-4-18(15-19)28-12-10-26-11-13-28/h3-7,14-16,26-27H,8-13H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316373
PNG
(US9617239, BRITE-354969)
Show SMILES CCN(CCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1)c1cccc(C)c1
Show InChI InChI=1S/C25H32N4O3S2/c1-3-28(21-7-4-6-20(2)18-21)17-14-27-34(30,31)25-11-10-24(33-25)32-23-9-5-8-22(19-23)29-15-12-26-13-16-29/h4-11,18-19,26-27H,3,12-17H2,1-2H3
PDB

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n/an/a 200n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316374
PNG
(US9617239, BRITE-355417)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccccc1Br
Show InChI InChI=1S/C21H21BrClN3O3S2/c22-18-7-2-1-4-15(18)14-25-31(27,28)20-13-19(23)21(30-20)29-17-6-3-5-16(12-17)26-10-8-24-9-11-26/h1-7,12-13,24-25H,8-11,14H2
PDB

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n/an/a 210n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316375
PNG
(US9617239, BRITE-355006)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)c(C)c1
Show InChI InChI=1S/C23H27N3O3S2/c1-17-6-7-19(18(2)14-17)16-25-31(27,28)23-9-8-22(30-23)29-21-5-3-4-20(15-21)26-12-10-24-11-13-26/h3-9,14-15,24-25H,10-13,16H2,1-2H3
PDB

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n/an/a 210n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316376
PNG
(US9617239, BRITE-355017)
Show SMILES O=S(=O)(NCc1ccc2OCOc2c1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C22H23N3O5S2/c26-32(27,24-14-16-4-5-19-20(12-16)29-15-28-19)22-7-6-21(31-22)30-18-3-1-2-17(13-18)25-10-8-23-9-11-25/h1-7,12-13,23-24H,8-11,14-15H2
PDB

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n/an/a 220n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316377
PNG
(US9617239, BRITE-354979)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)cc1
Show InChI InChI=1S/C21H23N3O4S2/c1-27-18-7-5-16(6-8-18)23-30(25,26)21-10-9-20(29-21)28-19-4-2-3-17(15-19)24-13-11-22-12-14-24/h2-10,15,22-23H,11-14H2,1H3
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n/an/a 230n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316378
PNG
(US9617239, BRITE-355004)
Show SMILES Clc1ccc(CCNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)cc1
Show InChI InChI=1S/C22H24ClN3O3S2/c23-18-6-4-17(5-7-18)10-11-25-31(27,28)22-9-8-21(30-22)29-20-3-1-2-19(16-20)26-14-12-24-13-15-26/h1-9,16,24-25H,10-15H2
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n/an/a 240n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316380
PNG
(US9617239, BRITE-354966)
Show SMILES O=S(=O)(NCC1CCCCC1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C21H29N3O3S2/c25-29(26,23-16-17-5-2-1-3-6-17)21-10-9-20(28-21)27-19-8-4-7-18(15-19)24-13-11-22-12-14-24/h4,7-10,15,17,22-23H,1-3,5-6,11-14,16H2
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n/an/a 270n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316379
PNG
(US9617239, BRITE-354667)
Show SMILES Fc1ccccc1CCNS(=O)(=O)c1cc(Cl)c(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C22H23ClFN3O3S2/c23-19-15-21(32(28,29)26-9-8-16-4-1-2-7-20(16)24)31-22(19)30-18-6-3-5-17(14-18)27-12-10-25-11-13-27/h1-7,14-15,25-26H,8-13H2
PDB

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n/an/a 270n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316381
PNG
(US9617239, BRITE-355262)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C21H22ClN3O3S2/c22-19-14-20(30(26,27)24-15-16-5-2-1-3-6-16)29-21(19)28-18-8-4-7-17(13-18)25-11-9-23-10-12-25/h1-8,13-14,23-24H,9-12,15H2
PDB

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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316383
PNG
(US9617239, BRITE-354873)
Show SMILES FC(F)(F)c1cccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
Show InChI InChI=1S/C22H21ClF3N3O3S2/c23-19-13-20(34(30,31)28-14-15-3-1-4-16(11-15)22(24,25)26)33-21(19)32-18-6-2-5-17(12-18)29-9-7-27-8-10-29/h1-6,11-13,27-28H,7-10,14H2
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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316382
PNG
(US9617239, BRITE-354965)
Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)cc1OC
Show InChI InChI=1S/C23H27N3O5S2/c1-29-20-7-6-17(14-21(20)30-2)16-25-33(27,28)23-9-8-22(32-23)31-19-5-3-4-18(15-19)26-12-10-24-11-13-26/h3-9,14-15,24-25H,10-13,16H2,1-2H3
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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316462
PNG
(US9617239, BRITE-492806)
Show SMILES Clc1cc(sc1Oc1ccc(cc1)N1CCNCC1)S(=O)(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C25H24ClN3O3S2/c26-23-16-24(34(30,31)28-17-19-6-3-5-18-4-1-2-7-22(18)19)33-25(23)32-21-10-8-20(9-11-21)29-14-12-27-13-15-29/h1-11,16,27-28H,12-15,17H2
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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316384
PNG
(US9617239, BRITE-354615)
Show SMILES COc1cc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc(OC)c1
Show InChI InChI=1S/C23H26ClN3O5S2/c1-30-19-10-16(11-20(13-19)31-2)15-26-34(28,29)22-14-21(24)23(33-22)32-18-5-3-4-17(12-18)27-8-6-25-7-9-27/h3-5,10-14,25-26H,6-9,15H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316385
PNG
(US9617239, BRITE-355016)
Show SMILES O=C1CCCN1CCCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C21H28N4O4S2/c26-19-6-2-12-25(19)13-3-9-23-31(27,28)21-8-7-20(30-21)29-18-5-1-4-17(16-18)24-14-10-22-11-15-24/h1,4-5,7-8,16,22-23H,2-3,6,9-15H2
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n/an/a 320n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316386
PNG
(US9617239, BRITE-354517)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H22ClN3O5S2/c23-18-12-21(33(27,28)25-13-15-4-5-19-20(10-15)30-14-29-19)32-22(18)31-17-3-1-2-16(11-17)26-8-6-24-7-9-26/h1-5,10-12,24-25H,6-9,13-14H2
PDB

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n/an/a 320n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316455
PNG
(US9617239, BRITE-492798)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C14H16ClN3O3S2/c15-12-9-13(23(16,19)20)22-14(12)21-11-3-1-2-10(8-11)18-6-4-17-5-7-18/h1-3,8-9,17H,4-7H2,(H2,16,19,20)
PDB

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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316387
PNG
(US9617239, BRITE-354958)
Show SMILES Fc1ccccc1CCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C22H24FN3O3S2/c23-20-7-2-1-4-17(20)10-11-25-31(27,28)22-9-8-21(30-22)29-19-6-3-5-18(16-19)26-14-12-24-13-15-26/h1-9,16,24-25H,10-15H2
PDB

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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316388
PNG
(US9617239, BRITE-355360)
Show SMILES COc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc1OC
Show InChI InChI=1S/C23H26ClN3O5S2/c1-30-20-7-6-16(12-21(20)31-2)15-26-34(28,29)22-14-19(24)23(33-22)32-18-5-3-4-17(13-18)27-10-8-25-9-11-27/h3-7,12-14,25-26H,8-11,15H2,1-2H3
PDB

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n/an/a 340n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316389
PNG
(US9617239, BRITE-355227)
Show SMILES COc1cccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
Show InChI InChI=1S/C22H24ClN3O4S2/c1-29-18-6-2-4-16(12-18)15-25-32(27,28)21-14-20(23)22(31-21)30-19-7-3-5-17(13-19)26-10-8-24-9-11-26/h2-7,12-14,24-25H,8-11,15H2,1H3
PDB

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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316394
PNG
(US9617239, BRITE-354948)
Show SMILES CSCCCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C18H25N3O3S3/c1-25-13-3-8-20-27(22,23)18-7-6-17(26-18)24-16-5-2-4-15(14-16)21-11-9-19-10-12-21/h2,4-7,14,19-20H,3,8-13H2,1H3
PDB

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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316395
PNG
(US9617239, BRITE-355336)
Show SMILES Cc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c(C)c1
Show InChI InChI=1S/C23H26ClN3O3S2/c1-16-6-7-18(17(2)12-16)15-26-32(28,29)22-14-21(24)23(31-22)30-20-5-3-4-19(13-20)27-10-8-25-9-11-27/h3-7,12-14,25-26H,8-11,15H2,1-2H3
PDB

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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316396
PNG
(US9617239, BRITE-355423)
Show SMILES CC(CCc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-18(10-11-19-6-3-2-4-7-19)27-33(29,30)23-17-22(25)24(32-23)31-21-9-5-8-20(16-21)28-14-12-26-13-15-28/h2-9,16-18,26-27H,10-15H2,1H3
PDB

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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316397
PNG
(US9617239, BRITE-355468)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23Cl2N3O3S2/c23-17-6-4-16(5-7-17)8-9-26-32(28,29)21-15-20(24)22(31-21)30-19-3-1-2-18(14-19)27-12-10-25-11-13-27/h1-7,14-15,25-26H,8-13H2
PDB

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North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316398
PNG
(US9617239, BRITE-355202)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C19H24ClN3O3S2/c20-17-13-18(28(24,25)22-14-4-1-2-5-14)27-19(17)26-16-7-3-6-15(12-16)23-10-8-21-9-11-23/h3,6-7,12-14,21-22H,1-2,4-5,8-11H2
PDB

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n/an/a 510n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316399
PNG
(US9617239, BRITE-355003)
Show SMILES COc1ccc(CCNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)cc1
Show InChI InChI=1S/C23H27N3O4S2/c1-29-20-7-5-18(6-8-20)11-12-25-32(27,28)23-10-9-22(31-23)30-21-4-2-3-19(17-21)26-15-13-24-14-16-26/h2-10,17,24-25H,11-16H2,1H3
PDB

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n/an/a 510n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316400
PNG
(US9617239, BRITE-354946)
Show SMILES O=S(=O)(NC1CCCCCC1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C21H29N3O3S2/c25-29(26,23-17-6-3-1-2-4-7-17)21-11-10-20(28-21)27-19-9-5-8-18(16-19)24-14-12-22-13-15-24/h5,8-11,16-17,22-23H,1-4,6-7,12-15H2
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 560n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316401
PNG
(US9617239, BRITE-354983)
Show SMILES COc1cccc(CNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)c1
Show InChI InChI=1S/C22H25N3O4S2/c1-28-19-6-2-4-17(14-19)16-24-31(26,27)22-9-8-21(30-22)29-20-7-3-5-18(15-20)25-12-10-23-11-13-25/h2-9,14-15,23-24H,10-13,16H2,1H3
PDB

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n/an/a 570n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316402
PNG
(US9617239, BRITE-355014)
Show SMILES O=S(=O)(NCc1cccs1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C19H21N3O3S3/c23-28(24,21-14-17-5-2-12-26-17)19-7-6-18(27-19)25-16-4-1-3-15(13-16)22-10-8-20-9-11-22/h1-7,12-13,20-21H,8-11,14H2
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
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US Patent
n/an/a 600n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316403
PNG
(US9617239, BRITE-355015)
Show SMILES O=S(=O)(NCCc1cccs1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C20H23N3O3S3/c24-29(25,22-9-8-18-5-2-14-27-18)20-7-6-19(28-20)26-17-4-1-3-16(15-17)23-12-10-21-11-13-23/h1-7,14-15,21-22H,8-13H2
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
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n/an/a 630n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316404
PNG
(US9617239, BRITE-354627)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C19H24ClN3O4S2/c20-17-12-18(29(24,25)22-13-16-5-2-10-26-16)28-19(17)27-15-4-1-3-14(11-15)23-8-6-21-7-9-23/h1,3-4,11-12,16,21-22H,2,5-10,13H2
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 710n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316406
PNG
(US9617239, BRITE-354764)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C21H27ClN4O4S2/c22-18-15-20(32(28,29)24-7-3-11-26-10-2-6-19(26)27)31-21(18)30-17-5-1-4-16(14-17)25-12-8-23-9-13-25/h1,4-5,14-15,23-24H,2-3,6-13H2
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 730n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316407
PNG
(US9617239, BRITE-354993)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C22H30N4O5S2/c1-2-30-22(27)26-12-8-17(9-13-26)24-33(28,29)21-7-6-20(32-21)31-19-5-3-4-18(16-19)25-14-10-23-11-15-25/h3-7,16-17,23-24H,2,8-15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 730n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM316408
PNG
(US9617239, BRITE-354956)
Show SMILES O=S(=O)(NC1CCCCC1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C20H27N3O3S2/c24-28(25,22-16-5-2-1-3-6-16)20-10-9-19(27-20)26-18-8-4-7-17(15-18)23-13-11-21-12-14-23/h4,7-10,15-16,21-22H,1-3,5-6,11-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 750n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...


US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
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