Compile Data Set for Download or QSAR
Found 11 Enz. Inhib. hit(s) with all data for entry = 50033573
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50063753(CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Show InChI InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
Affinity DataKi:  468nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50347553(CHEMBL1801794)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C13H8I3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
Affinity DataIC50: 630nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50347552(CHEMBL391125)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C13H8BrI2NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
Affinity DataIC50: 680nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50347551(CHEMBL395873)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C13H8FI2NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
Affinity DataIC50: 880nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50063753(CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Show InChI InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50347554(CHEMBL1801795)
Show SMILES CC(C)c1ccc(NC(=O)c2cc(I)cc(I)c2O)cc1
Show InChI InChI=1S/C16H15I2NO2/c1-9(2)10-3-5-12(6-4-10)19-16(21)13-7-11(17)8-14(18)15(13)20/h3-9,20H,1-2H3,(H,19,21)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50347549(CHEMBL482487)
Show SMILES Cc1ccc(NC(=O)c2cc(I)cc(I)c2O)cc1
Show InChI InChI=1S/C14H11I2NO2/c1-8-2-4-10(5-3-8)17-14(19)11-6-9(15)7-12(16)13(11)18/h2-7,18H,1H3,(H,17,19)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50347555(3,5-Dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide...)
Show SMILES COc1ccc(NC(=O)c2cc(Br)cc(Br)c2O)cc1
Show InChI InChI=1S/C14H11Br2NO3/c1-20-10-4-2-9(3-5-10)17-14(19)11-6-8(15)7-12(16)13(11)18/h2-7,18H,1H3,(H,17,19)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50347548(CHEMBL237819)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C13H8ClI2NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50347550(CHEMBL484912)
Show SMILES COc1ccc(NC(=O)c2cc(I)cc(I)c2O)cc1
Show InChI InChI=1S/C14H11I2NO3/c1-20-10-4-2-9(3-5-10)17-14(19)11-6-8(15)7-12(16)13(11)18/h2-7,18H,1H3,(H,17,19)
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair
TargetChitinase(Onchocerca volvulus)
The Skaggs Institute for Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50065988(3,5-Dichloro-N-(4-chloro-phenyl)-2-hydroxy-benzami...)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C13H8Cl3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
Affinity DataIC50: 1.24E+4nMAssay Description:Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...More data for this Ligand-Target Pair