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Compile Data Set for Download or QSAR

Found 552 hits Enz. Inhib. hit(s) with Target = 'Chitinase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chitinase


(Ostrinia furnacalis)
BDBM50514507
PNG
(CHEMBL1583158)
Show SMILES Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)
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9n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ostrinia furnacalis chitinase h catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by flu...


J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
More data for this
Ligand-Target Pair
Endochitinase B1


(Aspergillus fumigatus)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhihitory activity against Chitinase B1 (AfChiB1) using fuorometric assay with 4-methylumbelliferyl-b-D-N,N0-diacetylchitobiose as substrate


Bioorg Med Chem Lett 15: 4717-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.068
BindingDB Entry DOI: 10.7270/Q2MS3S9T
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM10854
PNG
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1
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20 -45.7n/an/an/an/an/a5.537



University of Dundee



Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...


Chem Biol 12: 65-76 (2005)


Article DOI: 10.1016/j.chembiol.2004.10.013
BindingDB Entry DOI: 10.7270/Q23F4MV6
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)
BDBM50514508
PNG
(CHEMBL4549449)
Show SMILES CC(NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N)c1ccccc1
Show InChI InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33)
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35n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr...


J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50514508
PNG
(CHEMBL4549449)
Show SMILES CC(NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N)c1ccccc1
Show InChI InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33)
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49n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr...


J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM50514507
PNG
(CHEMBL1583158)
Show SMILES Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)
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58n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase b catalytic domain overexpressed in Escherichia coli BL21(DE3) cells using 4MU-(GlcNAc)2 as substrate aft...


J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50022832
PNG
(RAFOXANIDE | 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


(Hypocrea rufa)
BDBM50254171
PNG
(CHEMBL4069120)
Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O
Show InChI InChI=1S/C26H44N8O3/c1-29-25(35)32-23(27)30-16-10-4-2-3-5-11-17-34-18-12-6-7-13-19-37-22-15-9-8-14-21(22)20-31-24(28)33-26(34)36/h8-9,14-15H,2-7,10-13,16-20H2,1H3,(H3,28,31,33,36)(H4,27,29,30,32,35)
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220n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50243745
PNG
(CHEMBL4076989)
Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)
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312n/an/an/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Chitinase


(Ostrinia furnacalis)
BDBM50514508
PNG
(CHEMBL4549449)
Show SMILES CC(NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N)c1ccccc1
Show InChI InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33)
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390n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ostrinia furnacalis chitinase h catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by flu...


J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM50514508
PNG
(CHEMBL4549449)
Show SMILES CC(NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N)c1ccccc1
Show InChI InChI=1S/C27H23N5O2/c1-18(20-12-6-3-7-13-20)29-26(33)21-16-22-25(30-23-14-8-9-15-31(23)27(22)34)32(24(21)28)17-19-10-4-2-5-11-19/h2-16,18,28H,17H2,1H3,(H,29,33)
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410n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase b catalytic domain overexpressed in Escherichia coli BL21(DE3) cells using 4MU-(GlcNAc)2 as substrate aft...


J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
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 1


(Homo sapiens (Human))
BDBM50514507
PNG
(CHEMBL1583158)
Show SMILES Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)
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1.12E+3n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr...


J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)
BDBM50514507
PNG
(CHEMBL1583158)
Show SMILES Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)
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1.94E+3n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based micr...


J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)
BDBM50243745
PNG
(CHEMBL4076989)
Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)
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3.40E+3n/an/an/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5
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


(Hypocrea rufa)
BDBM50254176
PNG
(CHEMBL3040884)
Show SMILES C\C=C\CNC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O
Show InChI InChI=1S/C28H47N7O2/c1-2-3-18-31-26(29)32-19-12-6-4-5-7-13-20-35-21-14-8-9-15-22-37-25-17-11-10-16-24(25)23-33-27(30)34-28(35)36/h2-3,10-11,16-17H,4-9,12-15,18-23H2,1H3,(H3,29,31,32)(H3,30,33,34,36)/b3-2+
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1.41E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Chitinase


(Hypocrea rufa)
BDBM50254177
PNG
(CHEMBL3040820)
Show SMILES C\C=C\CNC(=N)NCCCCCCCCN1CCCCCOc2ccccc2CNC(=N)NC1=O
Show InChI InChI=1S/C27H45N7O2/c1-2-3-17-30-25(28)31-18-11-6-4-5-7-12-19-34-20-13-8-14-21-36-24-16-10-9-15-23(24)22-32-26(29)33-27(34)35/h2-3,9-10,15-16H,4-8,11-14,17-22H2,1H3,(H3,28,30,31)(H3,29,32,33,35)/b3-2+
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1.78E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Chitinase


(Hypocrea rufa)
BDBM50254178
PNG
(CHEMBL3558827)
Show SMILES N=C(NCCCCCCN1CCCCCCCCNC(=N)NC1=O)NCC#C
Show InChI InChI=1S/C20H37N7O/c1-2-13-23-18(21)24-14-10-6-8-12-17-27-16-11-7-4-3-5-9-15-25-19(22)26-20(27)28/h1H,3-17H2,(H3,21,23,24)(H3,22,25,26,28)
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3.13E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM10853
PNG
((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Show SMILES CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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3.30E+4 -26.6n/an/an/an/an/a5.537



University of Dundee



Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...


Chem Biol 12: 65-76 (2005)


Article DOI: 10.1016/j.chembiol.2004.10.013
BindingDB Entry DOI: 10.7270/Q23F4MV6
More data for this
Ligand-Target Pair
Chitinase


(Hypocrea rufa)
BDBM50254180
PNG
(CHEMBL3558806)
Show SMILES CC(=C)CNC(=N)NCCCCCCN1CCCCCCCCNC(=N)NC1=O
Show InChI InChI=1S/C21H41N7O/c1-18(2)17-26-19(22)24-13-10-6-8-12-16-28-15-11-7-4-3-5-9-14-25-20(23)27-21(28)29/h1,3-17H2,2H3,(H3,22,24,26)(H3,23,25,27,29)
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3.48E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Chitinase


(Hypocrea rufa)
BDBM50254181
PNG
(CHEMBL3558803)
Show SMILES C\C=C\CNC(=N)NCCCCCCN1CCCCCCCCNC(=N)NC1=O
Show InChI InChI=1S/C21H41N7O/c1-2-3-14-24-19(22)25-15-11-7-9-13-18-28-17-12-8-5-4-6-10-16-26-20(23)27-21(28)29/h2-3H,4-18H2,1H3,(H3,22,24,25)(H3,23,26,27,29)/b3-2+
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3.58E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Endochitinase B1


(Aspergillus fumigatus)
BDBM10850
PNG
(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Show SMILES CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
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3.70E+4 -26.3 1.26E+5n/an/an/an/a5.537



University of Dundee



Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...


Chem Biol 12: 973-80 (2005)


Article DOI: 10.1016/j.chembiol.2005.07.009
BindingDB Entry DOI: 10.7270/Q2765CJG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chitinase


(Hypocrea rufa)
BDBM50254182
PNG
(CHEMBL3040830)
Show SMILES N=C(NCCCCCCCCN1CCCCCCCCNC(=N)NC1=O)NCC1CC1
Show InChI InChI=1S/C23H45N7O/c24-21(28-19-20-13-14-20)26-15-9-5-1-3-7-11-17-30-18-12-8-4-2-6-10-16-27-22(25)29-23(30)31/h20H,1-19H2,(H3,24,26,28)(H3,25,27,29,31)
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4.20E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Chitinase


(Hypocrea rufa)
BDBM50254179
PNG
(CHEMBL3558802)
Show SMILES CCNC(=N)NCCCCCCN1CCCCCCCCNC(=N)NC1=O
Show InChI InChI=1S/C19H39N7O/c1-2-22-17(20)23-13-10-6-8-12-16-26-15-11-7-4-3-5-9-14-24-18(21)25-19(26)27/h2-16H2,1H3,(H3,20,22,23)(H3,21,24,25,27)
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4.53E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Chitinase


(Hypocrea rufa)
BDBM50254183
PNG
(CHEMBL575667)
Show SMILES C\C=C\CNC(=N)NCCCCCCCCN1CCCCCCCCNC(=N)NC1=O
Show InChI InChI=1S/C23H45N7O/c1-2-3-16-26-21(24)27-17-12-8-4-6-10-14-19-30-20-15-11-7-5-9-13-18-28-22(25)29-23(30)31/h2-3H,4-20H2,1H3,(H3,24,26,27)(H3,25,28,29,31)/b3-2+
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5.08E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...


Bioorg Med Chem Lett 27: 3332-3336 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.016
BindingDB Entry DOI: 10.7270/Q2HT2RSQ
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50214358
PNG
(CHEMBL318258)
Show SMILES CN(C)C1=NC2C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1
Show InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)
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n/an/a 0.0100n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Trichoderma Chitinase


Bioorg Med Chem Lett 8: 2987-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00542-3
BindingDB Entry DOI: 10.7270/Q2TM7D9X
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50214361
PNG
(CHEMBL415389)
Show SMILES CN(C)C1=NC2C(O)C(OC3OC(CO)C(OC(OC(CO)\C=N\NC(=O)CCCCCNC(=O)CCCCC4SC[C@@H]5NC(=O)N[C@H]45)C(NC(C)=O)\C=N\NC(=O)CCCCCNC(=O)CCCCC4SC[C@@H]5NC(=O)N[C@H]45)C(O)C3NC(C)=O)C(CO)C2O1
Show InChI InChI=1S/C57H94N14O18S2/c1-30(75)62-34(24-61-70-43(80)20-8-6-14-22-59-41(78)18-12-10-16-39-45-36(29-91-39)65-56(84)67-45)53(85-32(25-72)23-60-69-42(79)19-7-5-13-21-58-40(77)17-11-9-15-38-44-35(28-90-38)64-55(83)66-44)88-52-37(27-74)86-54(47(49(52)82)63-31(2)76)87-51-33(26-73)50-46(48(51)81)68-57(89-50)71(3)4/h23-24,32-39,44-54,72-74,81-82H,5-22,25-29H2,1-4H3,(H,58,77)(H,59,78)(H,62,75)(H,63,76)(H,69,79)(H,70,80)(H2,64,66,83)(H2,65,67,84)/b60-23+,61-24+/t32?,33?,34?,35-,36-,37?,38?,39?,44-,45-,46?,47?,48?,49?,50?,51?,52?,53?,54?/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Trichoderma Chitinase


Bioorg Med Chem Lett 8: 2987-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00542-3
BindingDB Entry DOI: 10.7270/Q2TM7D9X
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50214357
PNG
(CHEMBL319102)
Show SMILES CN(C)C1=NC2C(O)C(OC3OC(CO)C(OC(OC(CO)CO)C(NC(C)=O)\C=N\NC(=O)CCCCCNC(=O)CCCCC4SC[C@H]5NC(=O)N[C@@H]45)C(O)C3NC(C)=O)C(CO)C2O1
Show InChI InChI=1S/C41H69N9O16S/c1-20(55)44-24(14-43-49-29(58)12-6-5-9-13-42-28(57)11-8-7-10-27-30-25(19-67-27)46-40(61)47-30)38(62-22(15-51)16-52)65-37-26(18-54)63-39(32(34(37)60)45-21(2)56)64-36-23(17-53)35-31(33(36)59)48-41(66-35)50(3)4/h14,22-27,30-39,51-54,59-60H,5-13,15-19H2,1-4H3,(H,42,57)(H,44,55)(H,45,56)(H,49,58)(H2,46,47,61)/b43-14+/t23?,24?,25-,26?,27?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Trichoderma Chitinase


Bioorg Med Chem Lett 8: 2987-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00542-3
BindingDB Entry DOI: 10.7270/Q2TM7D9X
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50214360
PNG
(CHEMBL327266)
Show SMILES CN(C)C1=NC2C(O)C(OC3OC(CO)C(OC(OC(CO)C=O)C(NC(C)=O)\C=N\NC(=O)CCCCCNC(=O)CCCCC4SC[C@H]5NC(=O)N[C@@H]45)C(O)C3NC(C)=O)C(CO)C2O1
Show InChI InChI=1S/C41H67N9O16S/c1-20(55)44-24(14-43-49-29(58)12-6-5-9-13-42-28(57)11-8-7-10-27-30-25(19-67-27)46-40(61)47-30)38(62-22(15-51)16-52)65-37-26(18-54)63-39(32(34(37)60)45-21(2)56)64-36-23(17-53)35-31(33(36)59)48-41(66-35)50(3)4/h14-15,22-27,30-39,52-54,59-60H,5-13,16-19H2,1-4H3,(H,42,57)(H,44,55)(H,45,56)(H,49,58)(H2,46,47,61)/b43-14+/t22?,23?,24?,25-,26?,27?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Trichoderma Chitinase


Bioorg Med Chem Lett 8: 2987-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00542-3
BindingDB Entry DOI: 10.7270/Q2TM7D9X
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50214359
PNG
(CHEMBL103401)
Show SMILES CN(C)C1=NC2C(O)C(OC3OC(CO)C(OC(OC(CO)CO)C(CO)NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1
Show InChI InChI=1S/C25H44N4O14/c1-10(35)26-14(8-33)23(39-12(5-30)6-31)42-22-15(9-34)40-24(17(19(22)38)27-11(2)36)41-21-13(7-32)20-16(18(21)37)28-25(43-20)29(3)4/h12-24,30-34,37-38H,5-9H2,1-4H3,(H,26,35)(H,27,36)
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n/an/a 0.0500n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Trichoderma Chitinase


Bioorg Med Chem Lett 8: 2987-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00542-3
BindingDB Entry DOI: 10.7270/Q2TM7D9X
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM10854
PNG
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to Serratia marcescens chitinase B


Bioorg Med Chem 16: 3565-79 (2008)


Article DOI: 10.1016/j.bmc.2008.02.017
BindingDB Entry DOI: 10.7270/Q2NG4QCG
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM10854
PNG
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1
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n/an/a 13n/an/an/an/a5.237



University of Dundee



Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...


Chem Biol 12: 65-76 (2005)


Article DOI: 10.1016/j.chembiol.2004.10.013
BindingDB Entry DOI: 10.7270/Q23F4MV6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chitinase 1


(Homo sapiens (Human))
BDBM50504025
PNG
(CHEMBL4464754)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCO1
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n/an/a 21n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM50462584
PNG
(CHEMBL4245260)
Show SMILES CNC(=O)NC(=N)NCCC[C@H](NC(=O)Cn1nncc1CO\N=C\c1ccnc2ccccc12)C(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C37H41N11O4/c1-39-37(51)45-36(38)41-19-10-17-33(35(50)47(23-27-11-4-2-5-12-27)24-28-13-6-3-7-14-28)44-34(49)25-48-30(22-42-46-48)26-52-43-21-29-18-20-40-32-16-9-8-15-31(29)32/h2-9,11-16,18,20-22,33H,10,17,19,23-26H2,1H3,(H,44,49)(H4,38,39,41,45,51)/b43-21+/t33-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens 6x-His-tagged ChiB after 20 hrs by LCMS-SIR analysis


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chitotriosidase-1


(Mus musculus)
BDBM50453493
PNG
(CHEMBL4209639)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(=O)N(C)C)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/C23H35ClN8O/c1-16-13-32(19-8-10-30(11-9-19)23-26-22(25)27-28-23)20(12-17-4-6-18(24)7-5-17)14-31(16)15-21(33)29(2)3/h4-7,16,19-20H,8-15H2,1-3H3,(H3,25,26,27,28)/t16-,20-/m0/s1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Bioorg Med Chem 17: 2751-8 (2009)


Article DOI: 10.1016/j.bmc.2009.02.047
BindingDB Entry DOI: 10.7270/Q2PR7VVM
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50257241
PNG
(CHEMBL506684 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C30H44N8O9/c1-6-15-47-24(40)17-22(28(44)45)36-26(42)23(16-20-11-8-7-9-12-20)38(5)27(43)21(35-25(41)18(2)34-19(3)39)13-10-14-33-29(31)37-30(46)32-4/h6-9,11-12,18,21-23H,1,10,13-17H2,2-5H3,(H,34,39)(H,35,41)(H,36,42)(H,44,45)(H4,31,32,33,37,46)/t18-,21+,22+,23+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Bioorg Med Chem 17: 2751-8 (2009)


Article DOI: 10.1016/j.bmc.2009.02.047
BindingDB Entry DOI: 10.7270/Q2PR7VVM
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50504017
PNG
(CHEMBL4541831)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCO1
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n/an/a 27n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Endochitinase B1


(Aspergillus fumigatus)
BDBM10853
PNG
((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Show SMILES CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 27n/an/an/an/a5.5n/a



University of Dundee



Assay Description
Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT.


Chem Biol 15: 295-301 (2008)


Article DOI: 10.1016/j.chembiol.2008.02.015
BindingDB Entry DOI: 10.7270/Q2JH3JN1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chitotriosidase-1


(Mus musculus)
BDBM50453514
PNG
(CHEMBL4214868)
Show SMILES COC(=O)CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/C22H32ClN7O2/c1-15-12-30(18-7-9-28(10-8-18)22-25-21(24)26-27-22)19(13-29(15)14-20(31)32-2)11-16-3-5-17(23)6-4-16/h3-6,15,18-19H,7-14H2,1-2H3,(H3,24,25,26,27)/t15-,19-/m0/s1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)
BDBM50453495
PNG
(CHEMBL4202739)
Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1C[C@@H]2C[C@H](O)CN2C[C@@H]1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H30ClN7O/c22-15-3-1-14(2-4-15)9-18-11-28-13-19(30)10-17(28)12-29(18)16-5-7-27(8-6-16)21-24-20(23)25-26-21/h1-4,16-19,30H,5-13H2,(H3,23,24,25,26)/t17-,18-,19-/m0/s1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)
BDBM50453526
PNG
(CHEMBL4206372)
Show SMILES CC(C)CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/C23H36ClN7/c1-16(2)13-30-15-21(12-18-4-6-19(24)7-5-18)31(14-17(30)3)20-8-10-29(11-9-20)23-26-22(25)27-28-23/h4-7,16-17,20-21H,8-15H2,1-3H3,(H3,25,26,27,28)/t17-,21-/m0/s1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM50089857
PNG
(ARGADIN | Argadin)
Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2c[nH]cn2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
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n/an/a 33n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB


J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50243685
PNG
(CHEMBL4084573)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C26H29ClN6/c27-22-10-8-19(9-11-22)12-15-33(18-21-6-3-5-20-4-1-2-7-24(20)21)23-13-16-32(17-14-23)26-29-25(28)30-31-26/h1-11,23H,12-18H2,(H3,28,29,30,31)
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n/an/a 36n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...


J Med Chem 61: 695-710 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01051
BindingDB Entry DOI: 10.7270/Q2J105J5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM50089847
PNG
(CHEMBL3577620)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
Show InChI InChI=1S/C35H61N5O9/c1-13-18-45-28-22(5)26(47-32(43)39-17-15-16-38-30(36)40-31(42)37-12)23(6)29(41)46-24(14-2)33(7,8)27-21(4)25(48-34(9,10)49-27)20(3)19-35(28,11)44/h1,20-28,44H,14-19H2,2-12H3,(H,39,43)(H4,36,37,38,40,42)/t20-,21+,22+,23-,24-,25+,26+,27-,28-,35-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase 1


(Homo sapiens (Human))
BDBM50504019
PNG
(CHEMBL4580568)
Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1
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n/an/a 41n/an/an/an/an/an/a



OncoArendi Therapeutics SA

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal his-tagged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb...


J Med Chem 62: 7126-7145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00681
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Mus musculus)
BDBM50453520
PNG
(CHEMBL4214737)
Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(C)C)C1CCN(CC1)c1n[nH]c(N)n1
Show InChI InChI=1S/C26H42ClN7/c1-18(2)13-23-17-34(22-9-11-32(12-10-22)26-29-25(28)30-31-26)24(16-33(23)15-19(3)4)14-20-5-7-21(27)8-6-20/h5-8,18-19,22-24H,9-17H2,1-4H3,(H3,28,29,30,31)/t23-,24-/m0/s1
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n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair
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