Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 659   

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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50182801 ((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...) Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285821 ((6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](CF)[C@H]1O |r| Show InChI InChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285819 ((6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol...) Show SMILES C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.60	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285839 ((6R,7R,8S)-8-(prop-1-yn-1-yl)-4-azaspiro[2.5]octan...) Show SMILES CC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285820 ((6R,7R,8R)-8-(hydroxymethyl)-4-azaspiro[2.5]octane...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO3/c10-4-5-7(12)6(11)3-9-8(5)1-2-8/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285834 ((6R,7R,8S)-8-vinyl-4-azaspiro[2.5]octane-6,7-diol ...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C=C)[C@H]1O |r| Show InChI InChI=1S/C9H15NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h2,6-8,10-12H,1,3-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.60	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285838 ((6R,7R,8S)-8-ethynyl-4-azaspiro[2.5]octane-6,7-dio...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#C)[C@H]1O |r| Show InChI InChI=1S/C9H13NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h1,6-8,10-12H,3-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285822 ((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r| Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285843 ((6R,7R,8S)-8-(3-fluoroprop-1-yn-1-yl)-4-azaspiro[2...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCF)[C@H]1O |r| Show InChI InChI=1S/C10H14FNO2/c11-5-1-2-7-9(14)8(13)6-12-10(7)3-4-10/h7-9,12-14H,3-6H2/t7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285844 ((6R,7R,8S)-8-(3,3-difluoroprop-1-yn-1-yl)-4-azaspi...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CC(F)F)[C@H]1O |r| Show InChI InChI=1S/C10H13F2NO2/c11-8(12)2-1-6-9(15)7(14)5-13-10(6)3-4-10/h6-9,13-15H,3-5H2/t6-,7-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285817 (US10081601, Example 1.2 | US9796680, Example Table...) Show SMILES CCCC1(CCC)NC[C@@H](O)[C@H](O)[C@H]1CO |r,@:3| Show InChI InChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3/t9-,10-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285840 ((6R,7R,8S)-8-(but-1-yn-1-yl)-4-azaspiro[2.5]octane...) Show SMILES CCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C11H17NO2/c1-2-3-4-8-10(14)9(13)7-12-11(8)5-6-11/h8-10,12-14H,2,5-7H2,1H3/t8-,9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285845 ((6R,7R,8S)-8-(4-fluorobut-1-yn-1-yl)-4-azaspiro[2....) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCCF)[C@H]1O |r| Show InChI InChI=1S/C11H16FNO2/c12-6-2-1-3-8-10(15)9(14)7-13-11(8)4-5-11/h8-10,13-15H,2,4-7H2/t8-,9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285819 ((6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol...) Show SMILES C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285821 ((6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](CF)[C@H]1O |r| Show InChI InChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285830 ((6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol ...) Show SMILES CC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285822 ((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r| Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285841 ((6R,7R,8S)-8-(pent-1-yn-1-yl)-4-azaspiro[2.5]octan...) Show SMILES CCCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C12H19NO2/c1-2-3-4-5-9-11(15)10(14)8-13-12(9)6-7-12/h9-11,13-15H,2-3,6-8H2,1H3/t9-,10-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285834 ((6R,7R,8S)-8-vinyl-4-azaspiro[2.5]octane-6,7-diol ...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C=C)[C@H]1O |r| Show InChI InChI=1S/C9H15NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h2,6-8,10-12H,1,3-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285823 ((6R,7R,8S)-8-(chloromethyl)-4-azaspiro[2.5]octane-...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](CCl)[C@H]1O |r| Show InChI InChI=1S/C8H14ClNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285824 ((6R,7R,8R)-8-(methoxymethyl)-4-azaspiro[2.5]octane...) Show SMILES COC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C9H17NO3/c1-13-5-6-8(12)7(11)4-10-9(6)2-3-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50182801 ((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...) Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285839 ((6R,7R,8S)-8-(prop-1-yn-1-yl)-4-azaspiro[2.5]octan...) Show SMILES CC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285846 ((6R,7R,8S)-8-(4,4-difluorobut-1-yn-1-yl)-4-azaspir...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCC(F)F)[C@H]1O |r| Show InChI InChI=1S/C11H15F2NO2/c12-9(13)3-1-2-7-10(16)8(15)6-14-11(7)4-5-11/h7-10,14-16H,3-6H2/t7-,8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285838 ((6R,7R,8S)-8-ethynyl-4-azaspiro[2.5]octane-6,7-dio...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#C)[C@H]1O |r| Show InChI InChI=1S/C9H13NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h1,6-8,10-12H,3-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285820 ((6R,7R,8R)-8-(hydroxymethyl)-4-azaspiro[2.5]octane...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO3/c10-4-5-7(12)6(11)3-9-8(5)1-2-8/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285831 ((6R,7R,8S)-8-propyl-4-azaspiro[2.5]octane-6,7-diol...) Show SMILES CCC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C10H19NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285843 ((6R,7R,8S)-8-(3-fluoroprop-1-yn-1-yl)-4-azaspiro[2...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCF)[C@H]1O |r| Show InChI InChI=1S/C10H14FNO2/c11-5-1-2-7-9(14)8(13)6-12-10(7)3-4-10/h7-9,12-14H,3-6H2/t7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285842 ((6R,7R,8S)-8-(3-hydroxyprop-1-yn-1-yl)-4-azaspiro[...) Show SMILES OCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C10H15NO3/c12-5-1-2-7-9(14)8(13)6-11-10(7)3-4-10/h7-9,11-14H,3-6H2/t7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285836 ((6R,7R,8S)-8-((E)-2-fluorovinyl)-4-azaspiro[2.5]oc...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](\C=C\F)[C@H]1O |r| Show InChI InChI=1S/C9H14FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h1,4,6-8,11-13H,2-3,5H2/b4-1+/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285844 ((6R,7R,8S)-8-(3,3-difluoroprop-1-yn-1-yl)-4-azaspi...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CC(F)F)[C@H]1O |r| Show InChI InChI=1S/C10H13F2NO2/c11-8(12)2-1-6-9(15)7(14)5-13-10(6)3-4-10/h6-9,13-15H,3-5H2/t6-,7-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285832 ((6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](CCF)[C@H]1O |r| Show InChI InChI=1S/C9H16FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h6-8,11-13H,1-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285825 ((6R,7S,8S)-8-methoxy-4-azaspiro[2.5]octane-6,7-dio...) Show SMILES CO[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO3/c1-12-7-6(11)5(10)4-9-8(7)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6+,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285835 ((6R,7R,8S)-8-((Z)-2-fluorovinyl)-4-azaspiro[2.5]oc...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](\C=C/F)[C@H]1O |r| Show InChI InChI=1S/C9H14FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h1,4,6-8,11-13H,2-3,5H2/b4-1-/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285833 ((6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]oc...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](CC(F)F)[C@H]1O |r| Show InChI InChI=1S/C9H15F2NO2/c10-7(11)3-5-8(14)6(13)4-12-9(5)1-2-9/h5-8,12-14H,1-4H2/t5-,6-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285826 ((6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-c...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#N)[C@H]1O |r| Show InChI InChI=1S/C8H12N2O2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-2,4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285837 ((6R,7R,8S)-8-(2,2-difluorovinyl)-4-azaspiro[2.5]oc...) Show SMILES [#8]-[#6@@H]-1-[#6]-[#7]C2([#6]-[#6]2)[#6@H](\[#6]=[#6](\F)F)-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C9H13F2NO2/c10-7(11)3-5-8(14)6(13)4-12-9(5)1-2-9/h3,5-6,8,12-14H,1-2,4H2/t5-,6-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285818 (US10081601, Example 1.3 | US9796680, Example Table...) Show SMILES CC1(C)NC[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C8H17NO3/c1-8(2)5(4-10)7(12)6(11)3-9-8/h5-7,9-12H,3-4H2,1-2H3/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	222	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285828 ((6R,7R,8S)-6,7-dihydroxy-N-methyl-4-azaspiro[2.5]o...) Show SMILES CNC(=O)[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C9H16N2O3/c1-10-8(14)6-7(13)5(12)4-11-9(6)2-3-9/h5-7,11-13H,2-4H2,1H3,(H,10,14)/t5-,6+,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	264	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285829 ((6R,7R,8S)?N-cyclopropyl-6,7-dihydroxy-4-azaspiro[...) Show SMILES O[C@@H]1CNC2(CC2)[C@@H]([C@H]1O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C11H18N2O3/c14-7-5-12-11(3-4-11)8(9(7)15)10(16)13-6-1-2-6/h6-9,12,14-15H,1-5H2,(H,13,16)/t7-,8+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	462	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285827 ((6R,7R,8S)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-c...) Show SMILES O[C@@H]1CNC2(CC2)[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C8H13NO4/c10-4-3-9-8(1-2-8)5(6(4)11)7(12)13/h4-6,9-11H,1-3H2,(H,12,13)/t4-,5+,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	507	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair