Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for entry = 50011137
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545191(CHEMBL1370584)
Show SMILES CCN(CC)C(=O)C1=C(C)N=C(S)NC1c1cccs1
Show InChI InChI=1S/C14H19N3OS2/c1-4-17(5-2)13(18)11-9(3)15-14(19)16-12(11)10-7-6-8-20-10/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19)
Affinity DataIC50: 350nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545194(CHEMBL4649006)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H20N4O3S/c1-4-19(5-2)15(21)13-10(3)17-16(24)18-14(13)11-7-6-8-12(9-11)20(22)23/h6-9,14H,4-5H2,1-3H3,(H2,17,18,24)
Affinity DataIC50: 600nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545193(CHEMBL4207146)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1
Show InChI InChI=1S/C16H21N3O2S/c1-4-19(5-2)15(21)13-10(3)17-16(22)18-14(13)11-7-6-8-12(20)9-11/h6-9,14,20H,4-5H2,1-3H3,(H2,17,18,22)
Affinity DataIC50: 720nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545192(CHEMBL4647400)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(OC)c(O)c1
Show InChI InChI=1S/C17H23N3O3S/c1-5-20(6-2)16(22)14-10(3)18-17(24)19-15(14)11-7-8-13(23-4)12(21)9-11/h7-9,15,21H,5-6H2,1-4H3,(H2,18,19,24)
Affinity DataIC50: 760nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50233861(CHEMBL4084524)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(F)c(F)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClF2N3O4/c1-7-17-6-12(19(21)22)18(7)2-3-23-13(20)8-4-10(15)11(16)5-9(8)14/h4-6H,2-3H2,1H3
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of beta-glucuronidase (unknown origin)More data for this Ligand-Target Pair
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545189(CHEMBL4647000)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H20N4O3S/c1-4-19(5-2)15(21)13-10(3)17-16(24)18-14(13)11-6-8-12(9-7-11)20(22)23/h6-9,14H,4-5H2,1-3H3,(H2,17,18,24)
Affinity DataIC50: 7.01E+3nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545187(CHEMBL4634415)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN3OS/c1-4-20(5-2)15(21)13-10(3)18-16(22)19-14(13)11-6-8-12(17)9-7-11/h6-9,14H,4-5H2,1-3H3,(H2,18,19,22)
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545186(CHEMBL4640367)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(O)cc1
Show InChI InChI=1S/C16H21N3O2S/c1-4-19(5-2)15(21)13-10(3)17-16(22)18-14(13)11-6-8-12(20)9-7-11/h6-9,14,20H,4-5H2,1-3H3,(H2,17,18,22)
Affinity DataIC50: 3.89E+4nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545188(CHEMBL4637783)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(Br)cc1
Show InChI InChI=1S/C16H20BrN3OS/c1-4-20(5-2)15(21)13-10(3)18-16(22)19-14(13)11-6-8-12(17)9-7-11/h6-9,14H,4-5H2,1-3H3,(H2,18,19,22)
Affinity DataIC50: 4.12E+4nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545185(CHEMBL4643945)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccccc1
Show InChI InChI=1S/C16H21N3OS/c1-4-19(5-2)15(20)13-11(3)17-16(21)18-14(13)12-9-7-6-8-10-12/h6-10,14H,4-5H2,1-3H3,(H2,17,18,21)
Affinity DataIC50: 4.15E+4nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50545190(CHEMBL4638314)
Show SMILES CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(OC)cc1
Show InChI InChI=1S/C17H23N3O2S/c1-5-20(6-2)16(21)14-11(3)18-17(23)19-15(14)12-7-9-13(22-4)10-8-12/h7-10,15H,5-6H2,1-4H3,(H2,18,19,23)
Affinity DataIC50: 4.21E+4nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetBeta-glucuronidase(Homo sapiens (Human))
Shiraz University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50008907(D-Saccharic Acid 1,4-Lactone)
Show SMILES O[C@@H]([C@H]1OC(=O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1
Affinity DataIC50: 4.84E+4nMAssay Description:Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...More data for this Ligand-Target Pair