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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'tricoche' and Initial = 'n'   
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
Chitinase


(Onchocerca volvulus)
BDBM50022832
PNG
(Rafoxanide)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)
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130n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 ...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50063753
PNG
(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)
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468n/an/an/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50063753
PNG
(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)
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470n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 ...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50498224
PNG
(CHEMBL3577757)
Show SMILES [Br-].Cc1[n+](Cc2ccc(Cl)cc2)ccc2c1[nH]c1cc(OCc3ccc(Cl)cc3)ccc21
Show InChI InChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-30(17)15-18-2-6-20(27)7-3-18)23-11-10-22(14-25(23)29-26)31-16-19-4-8-21(28)9-5-19/h2-14H,15-16H2,1H3/p+1
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980n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assess...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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3.78E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assess...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022832
PNG
(Rafoxanide)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)
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n/an/a 340n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022892
PNG
(CHEMBL3298112)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H12ClI2NO2/c20-13-5-1-11(2-6-13)12-3-7-15(8-4-12)23-19(25)16-9-14(21)10-17(22)18(16)24/h1-10,24H,(H,23,25)
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n/an/a 370n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022890
PNG
(CHEMBL3298110)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H13I2NO2/c20-14-10-16(18(23)17(21)11-14)19(24)22-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-11,23H,(H,22,24)
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n/an/a 470n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022830
PNG
(CHEMBL3298103)
Show SMILES COc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClI2NO3/c1-26-19-17(10-13(22)11-18(19)23)20(25)24-14-4-8-16(9-5-14)27-15-6-2-12(21)3-7-15/h2-11H,1H3,(H,24,25)
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n/an/a 600n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50347553
PNG
(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)
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n/an/a 630n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50347552
PNG
(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)
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n/an/a 680n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022829
PNG
(CHEMBL3298102)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H12ClI2NO3/c20-11-1-5-14(6-2-11)26-15-7-3-13(4-8-15)23-19(25)16-9-12(21)10-17(22)18(16)24/h1-10,24H,(H,23,25)
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n/an/a 700n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022834
PNG
(CHEMBL3298104)
Show SMILES Clc1ccc(Oc2ccc(NC(=O)c3cc(I)cc(I)c3)cc2)cc1
Show InChI InChI=1S/C19H12ClI2NO2/c20-13-1-5-17(6-2-13)25-18-7-3-16(4-8-18)23-19(24)12-9-14(21)11-15(22)10-12/h1-11H,(H,23,24)
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n/an/a 870n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50347551
PNG
(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)
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n/an/a 880n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022887
PNG
(CHEMBL3298108)
Show SMILES COc1c(I)cc(I)cc1C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C18H13I2NO2/c1-23-17-15(9-13(19)10-16(17)20)18(22)21-14-7-6-11-4-2-3-5-12(11)8-14/h2-10H,1H3,(H,21,22)
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n/an/a 890n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022886
PNG
(CHEMBL3298107)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H11I2NO2/c18-12-8-14(16(21)15(19)9-12)17(22)20-13-6-5-10-3-1-2-4-11(10)7-13/h1-9,21H,(H,20,22)
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n/an/a 940n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022891
PNG
(CHEMBL3298111)
Show SMILES Cc1ccc(cc1)-c1ccc(NC(=O)c2cc(I)cc(I)c2O)cc1
Show InChI InChI=1S/C20H15I2NO2/c1-12-2-4-13(5-3-12)14-6-8-16(9-7-14)23-20(25)17-10-15(21)11-18(22)19(17)24/h2-11,24H,1H3,(H,23,25)
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n/an/a 990n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022826
PNG
(CHEMBL3298099)
Show SMILES Ic1cc(I)cc(c1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H13I2NO2/c20-14-10-13(11-15(21)12-14)19(23)22-16-6-8-18(9-7-16)24-17-4-2-1-3-5-17/h1-12H,(H,22,23)
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n/an/a 1.06E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022827
PNG
(CHEMBL3298100)
Show SMILES Cc1ccc(Oc2ccc(NC(=O)c3cc(I)cc(I)c3O)cc2)cc1
Show InChI InChI=1S/C20H15I2NO3/c1-12-2-6-15(7-3-12)26-16-8-4-14(5-9-16)23-20(25)17-10-13(21)11-18(22)19(17)24/h2-11,24H,1H3,(H,23,25)
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n/an/a 1.11E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022885
PNG
(CHEMBL3298106)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H12ClI2NO3/c20-15-3-1-2-4-17(15)26-13-7-5-12(6-8-13)23-19(25)14-9-11(21)10-16(22)18(14)24/h1-10,24H,(H,23,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022823
PNG
(CHEMBL3297930)
Show SMILES COc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H15I2NO3/c1-25-19-17(11-13(21)12-18(19)22)20(24)23-14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-12H,1H3,(H,23,24)
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n/an/a 1.28E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022888
PNG
(CHEMBL3298109)
Show SMILES Ic1cc(I)cc(c1)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H11I2NO/c18-14-7-13(8-15(19)10-14)17(21)20-16-6-5-11-3-1-2-4-12(11)9-16/h1-10H,(H,20,21)
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n/an/a 1.29E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50498224
PNG
(CHEMBL3577757)
Show SMILES [Br-].Cc1[n+](Cc2ccc(Cl)cc2)ccc2c1[nH]c1cc(OCc3ccc(Cl)cc3)ccc21
Show InChI InChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-30(17)15-18-2-6-20(27)7-3-18)23-11-10-22(14-25(23)29-26)31-16-19-4-8-21(28)9-5-19/h2-14H,15-16H2,1H3/p+1
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n/an/a 1.43E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022828
PNG
(CHEMBL3298101)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H12FI2NO3/c20-11-1-5-14(6-2-11)26-15-7-3-13(4-8-15)23-19(25)16-9-12(21)10-17(22)18(16)24/h1-10,24H,(H,23,25)
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n/an/a 1.57E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50347554
PNG
(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)
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50063753
PNG
(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)
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50063753
PNG
(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)
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50347549
PNG
(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)
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n/an/a 1.70E+3n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022842
PNG
(CHEMBL3298105)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H12ClI2NO3/c20-11-2-1-3-15(8-11)26-14-6-4-13(5-7-14)23-19(25)16-9-12(21)10-17(22)18(16)24/h1-10,24H,(H,23,25)
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n/an/a 1.74E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022824
PNG
(CHEMBL3298097)
Show SMILES CN(C(=O)c1cc(I)cc(I)c1O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H15I2NO3/c1-23(20(25)17-11-13(21)12-18(22)19(17)24)14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-12,24H,1H3
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n/an/a 1.81E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022822
PNG
(CHEMBL483713)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H13I2NO3/c20-12-10-16(18(23)17(21)11-12)19(24)22-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-11,23H,(H,22,24)
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n/an/a 1.98E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50498228
PNG
(CHEMBL3577758)
Show SMILES Cc1nccc2c3ccc(OCc4ccc(Cl)cc4)cc3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-29-17)23-11-10-22(31-16-19-4-8-21(28)9-5-19)14-25(23)30(26)15-18-2-6-20(27)7-3-18/h2-14H,15-16H2,1H3
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n/an/a 2.08E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50498225
PNG
(CHEMBL3577754)
Show SMILES [Br-].COc1ccc2c(c1)[nH]c1c(C)[n+](Cc3ccc(Cl)cc3)ccc21
Show InChI InChI=1S/C20H17ClN2O/c1-13-20-18(17-8-7-16(24-2)11-19(17)22-20)9-10-23(13)12-14-3-5-15(21)6-4-14/h3-11H,12H2,1-2H3/p+1
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n/an/a 3.49E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50498227
PNG
(CHEMBL3577753)
Show SMILES [Br-].COc1ccc2c(c1)[nH]c1c(C)[n+](CC3CC3)ccc21
Show InChI InChI=1S/C17H18N2O/c1-11-17-15(7-8-19(11)10-12-3-4-12)14-6-5-13(20-2)9-16(14)18-17/h5-9,12H,3-4,10H2,1-2H3/p+1
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n/an/a 3.57E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022825
PNG
(CHEMBL3298098)
Show SMILES COc1c(I)cc(I)cc1C(=O)N(C)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H17I2NO3/c1-24(21(25)18-12-14(22)13-19(23)20(18)26-2)15-8-10-17(11-9-15)27-16-6-4-3-5-7-16/h3-13H,1-2H3
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n/an/a 3.71E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr...


J Med Chem 57: 5792-9 (2014)


Article DOI: 10.1021/jm5006435
BindingDB Entry DOI: 10.7270/Q23B61Q3
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50347555
PNG
(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)
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n/an/a 5.50E+3n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50347548
PNG
(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)
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n/an/a 5.80E+3n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 7.06E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50498226
PNG
(Harmol)
Show SMILES Cc1[nH]ccc2c3ccc(=O)cc3[nH]c12
Show InChI InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3
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n/an/a 7.08E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50013786
PNG
(1-Methyl-9H-beta-carboline | 1-Methyl-9H-beta-carb...)
Show SMILES Cc1nccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
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n/an/a 7.33E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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n/an/a 8.46E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50347550
PNG
(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)
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n/an/a 8.70E+3n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50065988
PNG
(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)
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PubMed
n/an/a 1.24E+4n/an/an/an/an/an/a



The Skaggs Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m...


J Med Chem 54: 3963-72 (2011)


Article DOI: 10.1021/jm200364n
BindingDB Entry DOI: 10.7270/Q21V5FB9
More data for this
Ligand-Target Pair