Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'unger' and Initial = 'm'   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acidic mammalian chitinase (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 8.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280031 ((6S,7R,8R)-Octahydro-indolizine-1,6,7,8-tetraol | ...) Show SMILES OC1CCN2C[C@H](O)[C@@H](O)[C@H](O)C12 Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4?,5-,6?,7+,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50255702 (CHEMBL520612 | N-(4'-Methyl phenyl)-6,8-dimethoxy-...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1ccc(C)cc1 Show InChI InChI=1S/C20H22NO2/c1-13-6-8-17(9-7-13)21-14(2)10-16-11-18(22-4)12-19(23-5)20(16)15(21)3/h6-12H,1-5H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50255812 (CHEMBL481022 | N-(4'-i-Propylphenyl)-6,8-dimethoxy...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C22H26NO2/c1-14(2)17-7-9-19(10-8-17)23-15(3)11-18-12-20(24-5)13-21(25-6)22(18)16(23)4/h7-14H,1-6H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	160	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50198075 (6,8-dimethoxy-1,3-dimethyl-2-(naphthalen-1-yl)isoq...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1cccc2ccccc12 |(-7.05,6.23,;-7.05,4.69,;-5.73,3.91,;-5.73,2.37,;-4.39,1.6,;-4.39,.06,;-5.72,-.72,;-3.06,2.37,;-1.72,1.61,;-1.72,.07,;-.38,2.38,;-.39,3.93,;.94,4.71,;-1.73,4.7,;-3.06,3.92,;-4.4,4.69,;.96,1.62,;2.28,2.4,;3.61,1.64,;3.62,.09,;2.29,-.69,;2.3,-2.21,;.97,-2.98,;-.36,-2.21,;-.37,-.69,;.96,.09,)| Show InChI InChI=1S/C23H22NO2/c1-15-12-18-13-19(25-3)14-22(26-4)23(18)16(2)24(15)21-11-7-9-17-8-5-6-10-20(17)21/h5-14H,1-4H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280031 ((6S,7R,8R)-Octahydro-indolizine-1,6,7,8-tetraol | ...) Show SMILES OC1CCN2C[C@H](O)[C@@H](O)[C@H](O)C12 Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4?,5-,6?,7+,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	900	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on Asp. Wentii beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280031 ((6S,7R,8R)-Octahydro-indolizine-1,6,7,8-tetraol | ...) Show SMILES OC1CCN2C[C@H](O)[C@@H](O)[C@H](O)C12 Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4?,5-,6?,7+,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on almonds beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280029 ((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...) Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					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
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 6.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280029 ((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...) Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on Asp. Wentii beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on Asp. Wentii beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280029 ((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...) Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on almonds beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on almonds beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on Asp. Wentii beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280029 ((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...) Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on almonds beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280032 ((2R,3R,4R,5S)-2-Methyl-piperidine-3,4,5-triol | 1,...) Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	7.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on almonds beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280031 ((6S,7R,8R)-Octahydro-indolizine-1,6,7,8-tetraol | ...) Show SMILES OC1CCN2C[C@H](O)[C@@H](O)[C@H](O)C12 Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4?,5-,6?,7+,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280032 ((2R,3R,4R,5S)-2-Methyl-piperidine-3,4,5-triol | 1,...) Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.56E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280029 ((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...) Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50243685 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50243795 (CHEMBL4077644) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50243799 (CHEMBL4077482) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.40	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (Mus musculus)	BDBM50243685 (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (Mus musculus)	BDBM50243760 (CHEMBL4082060) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCC1 Show InChI InChI=1S/C22H33ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h6-9,18,20H,1-5,10-16H2,(H3,24,25,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (Mus musculus)	BDBM50243746 (CHEMBL4068944) Show SMILES CC(C)CN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29BrN6/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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50243746 (CHEMBL4068944) Show SMILES CC(C)CN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29BrN6/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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50243760 (CHEMBL4082060) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCC1 Show InChI InChI=1S/C22H33ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h6-9,18,20H,1-5,10-16H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (Mus musculus)	BDBM50243795 (CHEMBL4077644) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter				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
Acidic mammalian chitinase (Mus musculus)	BDBM50243799 (CHEMBL4077482) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of [3H]GBR-12935 binding to the dopamine transporter.				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
Acidic mammalian chitinase (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acidic mammalian chitinase (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50243685 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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
Acidic mammalian chitinase (Mus musculus)	BDBM50243744 (CHEMBL4098997) Show SMILES CCN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C17H25BrN6/c1-2-23(10-7-13-3-5-14(18)6-4-13)15-8-11-24(12-9-15)17-20-16(19)21-22-17/h3-6,15H,2,7-12H2,1H3,(H3,19,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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 acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet...				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
Acetylcholine receptor subunit epsilon (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase				J Med Chem 48: 7496-9 (2005) Article DOI: 10.1021/jm058041z BindingDB Entry DOI: 10.7270/Q20864WZ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50255702 (CHEMBL520612 | N-(4'-Methyl phenyl)-6,8-dimethoxy-...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1ccc(C)cc1 Show InChI InChI=1S/C20H22NO2/c1-13-6-8-17(9-7-13)21-14(2)10-16-11-18(22-4)12-19(23-5)20(16)15(21)3/h6-12H,1-5H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair

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