Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'docquier' and Initial = 'jd'   

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
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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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Acidic mammalian chitinase (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase A (Streptococcus pneumoniae)	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	9.0	n/a
Università degli Studi di Siena					Assay Description Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO...				BMC Biochem 13: 19 (2012) Article DOI: 10.1186/1471-2091-13-19 BindingDB Entry DOI: 10.7270/Q2959GDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase A (Streptococcus pneumoniae)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	9.0	n/a
Università degli Studi di Siena					Assay Description Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO...				BMC Biochem 13: 19 (2012) Article DOI: 10.1186/1471-2091-13-19 BindingDB Entry DOI: 10.7270/Q2959GDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614251 (CHEMBL5268683) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2cc(Cl)ccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614240 (CHEMBL5290508) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(F)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614246 (CHEMBL5279325) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614250 (CHEMBL5288210) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2cc(F)ccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614248 (CHEMBL5265903) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(F)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614249 (CHEMBL5280316) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(C)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614249 (CHEMBL5280316) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(C)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614256 (CHEMBL5272737) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614254 (CHEMBL5289877) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(OC)cc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614256 (CHEMBL5272737) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614250 (CHEMBL5288210) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2cc(F)ccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614247 (CHEMBL5269695) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(OC(F)(F)F)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614257 (CHEMBL5287414) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614254 (CHEMBL5289877) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(OC)cc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614253 (CHEMBL5267257) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(C)cc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614246 (CHEMBL5279325) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614248 (CHEMBL5265903) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(F)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614252 (CHEMBL5283905) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(C)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614257 (CHEMBL5287414) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614251 (CHEMBL5268683) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2cc(Cl)ccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614259 (CHEMBL5270383) Show SMILES CNC(=O)NC(=N)NCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614258 (CHEMBL5270387) Show SMILES CNC(=O)NC(=N)NCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acidic mammalian chitinase (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614258 (CHEMBL5270387) Show SMILES CNC(=O)NC(=N)NCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614241 (CHEMBL5280623) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(F)cc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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))	BDBM50614242 (CHEMBL5272989) Show SMILES CN(C)C(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614241 (CHEMBL5280623) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(F)cc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614245 (CHEMBL5283183) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCCCNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.84E+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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614255 (CHEMBL5268303) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(Cl)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.10E+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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614259 (CHEMBL5270383) Show SMILES CNC(=O)NC(=N)NCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.70E+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)	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))	BDBM50614240 (CHEMBL5290508) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(F)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 (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
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))	BDBM50614252 (CHEMBL5283905) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(C)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614243 (CHEMBL5279201) Show SMILES CNC(=S)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614255 (CHEMBL5268303) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(Cl)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50614247 (CHEMBL5269695) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(OC(F)(F)F)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614245 (CHEMBL5283183) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCCCNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
Chitinase (Hypocrea rufa)	BDBM50254183 (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+	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.08E+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

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