Compile Data Set for Download or QSAR

Found 970 hits Enz. Inhib. hit(s) with Target = 'Chitinase'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541929 (CHEMBL1738785) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitinase (Ostrinia furnacalis)	BDBM50514507 (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)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2N019W8
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50554340 (CHEMBL4788866) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endochitinase B1 (Aspergillus fumigatus)	BDBM50173286 (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 |r,w:7.7| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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 |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	20	-45.7	n/a	n/a	n/a	n/a	n/a	5.5	37
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)	BDBM50554340 (CHEMBL4788866) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50514508 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2N019W8
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50514508 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2N019W8
					More data for this Ligand-Target Pair
Chitinase B (Serratia marcescens)	BDBM50514507 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2N019W8
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50022832 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 B (Serratia marcescens)	BDBM50587859 (CHEMBL5180998) Show SMILES [Cl-].COCCCCC(=O)Oc1c(OC)ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2021.116143 BindingDB Entry DOI: 10.7270/Q28G8QN5
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Chitinase B (Serratia marcescens)	BDBM50587858 (9-O-(Benzoyl)Berberrubine Chloride | CHEMBL1223325) Show SMILES [Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(=O)c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2021.116143 BindingDB Entry DOI: 10.7270/Q28G8QN5
					More data for this Ligand-Target Pair
Chitinase B (Serratia marcescens)	BDBM50587857 (CHEMBL5199149) Show SMILES [Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(=O)c1ccc(F)nc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2021.116143 BindingDB Entry DOI: 10.7270/Q28G8QN5
					More data for this Ligand-Target Pair
Chitinase (Hypocrea rufa)	BDBM50254171 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. 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
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50243745 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50587857 (CHEMBL5199149) Show SMILES [Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(=O)c1ccc(F)nc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2021.116143 BindingDB Entry DOI: 10.7270/Q28G8QN5
					More data for this Ligand-Target Pair
Chitinase (Ostrinia furnacalis)	BDBM50514508 (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)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2N019W8
					More data for this Ligand-Target Pair
Chitinase B (Serratia marcescens)	BDBM50514508 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2N019W8
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50063753 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50514507 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2N019W8
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50514507 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2N019W8
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50243745 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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Chitinase (Onchocerca volvulus)	BDBM100152 (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	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5265903 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5280316 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5272737 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5288210 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5269695 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5287414 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5289877 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5279325 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50254171 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5270383 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5268683 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5280623 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5270387 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitinase (Hypocrea rufa)	BDBM50254176 (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+	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. 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
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5272989 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitinase (Hypocrea rufa)	BDBM50254177 (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+	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. 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 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. 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
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5290508 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitinase B (Serratia marcescens)	BDBM10853 ((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 |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.30E+4	-26.6	n/a	n/a	n/a	n/a	n/a	5.5	37
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 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. 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 (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+	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. 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 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.70E+4	-26.3	1.26E+5	n/a	n/a	n/a	n/a	5.5	37
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 Structure (crystal)
Chitinase (Hypocrea rufa)	BDBM50254182 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. 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 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. 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
Chitotriosidase-1 (Homo sapiens (Human))	CHEMBL5268303 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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