Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 8261   

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))	BDBM238210 (US9402837, 16) Show SMILES OC[C@H]1CN(CC2CCNCC2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C12H24N2O3/c15-8-10-6-14(7-11(16)12(10)17)5-9-1-3-13-4-2-9/h9-13,15-17H,1-8H2/t10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	440	n/a	1.07E+3	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238214 (US9402837, 24) Show SMILES CC(C)CCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 Show InChI InChI=1S/C12H25NO3/c1-9(2)4-3-5-13-6-10(8-14)12(16)11(15)7-13/h9-12,14-16H,3-8H2,1-2H3/t10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	880	n/a	2.13E+3	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238200 (US9402837, 4) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8])-[#6]-1 Show InChI InChI=1S/C11H21NO3/c1-8(2)3-4-12-5-9(7-13)11(15)10(14)6-12/h3,9-11,13-15H,4-7H2,1-2H3/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	1.66E+3	n/a	4.00E+3	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238201 (US9402837, 5) Show SMILES COCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 Show InChI InChI=1S/C9H19NO4/c1-14-3-2-10-4-7(6-11)9(13)8(12)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	2.48E+3	n/a	5.99E+3	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238208 (US9402837, 13) Show SMILES OC[C@H]1CN(CCc2ccccc2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C14H21NO3/c16-10-12-8-15(9-13(17)14(12)18)7-6-11-4-2-1-3-5-11/h1-5,12-14,16-18H,6-10H2/t12-,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.11E+3	n/a	7.50E+3	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238207 (US9402837, 12) Show SMILES Nc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)cc1 Show InChI InChI=1S/C13H20N2O3/c14-11-3-1-9(2-4-11)5-15-6-10(8-16)13(18)12(17)7-15/h1-4,10,12-13,16-18H,5-8,14H2/t10-,12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.88E+3	n/a	9.36E+3	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238204 (US9402837, 8) Show SMILES Cc1cccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)c1 Show InChI InChI=1S/C14H21NO3/c1-10-3-2-4-11(5-10)6-15-7-12(9-16)14(18)13(17)8-15/h2-5,12-14,16-18H,6-9H2,1H3/t12-,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.26E+3	n/a	1.27E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238213 (US9402837, 23) Show SMILES OC[C@H]1CN(CC2CCCC2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C12H23NO3/c14-8-10-6-13(7-11(15)12(10)16)5-9-3-1-2-4-9/h9-12,14-16H,1-8H2/t10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.48E+3	n/a	1.56E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238212 (US9402837, 19) Show SMILES OC[C@H]1CN(Cc2ccncc2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C12H18N2O3/c15-8-10-6-14(7-11(16)12(10)17)5-9-1-3-13-4-2-9/h1-4,10-12,15-17H,5-8H2/t10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.02E+3	n/a	1.94E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238216 (US9402837, 18) Show SMILES OC[C@H]1CN(Cc2cccs2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C11H17NO3S/c13-7-8-4-12(6-10(14)11(8)15)5-9-2-1-3-16-9/h1-3,8,10-11,13-15H,4-7H2/t8-,10-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.14E+4	n/a	2.76E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238197 (US9402837, 1) Show SMILES CCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 Show InChI InChI=1S/C9H19NO3/c1-2-3-10-4-7(6-11)9(13)8(12)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	1.48E+4	n/a	3.58E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238199 (US9402837, 3) Show SMILES CCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 Show InChI InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-14-8-11(10-15)13(17)12(16)9-14/h11-13,15-17H,2-10H2,1H3/t11-,12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.73E+4	n/a	4.17E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238215 (US9402837, 25) Show SMILES OC[C@H]1CN(Cc2ccc(cc2)[N+]([O-])=O)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C13H18N2O5/c16-8-10-6-14(7-12(17)13(10)18)5-9-1-3-11(4-2-9)15(19)20/h1-4,10,12-13,16-18H,5-8H2/t10-,12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.86E+4	n/a	4.50E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238209 (US9402837, 15) Show SMILES OC[C@H]1CN(CC2CCOCC2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C12H23NO4/c14-8-10-6-13(7-11(15)12(10)16)5-9-1-3-17-4-2-9/h9-12,14-16H,1-8H2/t10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.04E+4	n/a	4.92E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238203 (US9402837, 7) Show SMILES Cc1ccccc1CN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 Show InChI InChI=1S/C14H21NO3/c1-10-4-2-3-5-11(10)6-15-7-12(9-16)14(18)13(17)8-15/h2-5,12-14,16-18H,6-9H2,1H3/t12-,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.88E+4	n/a	6.95E+4	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238205 (US9402837, 9) Show SMILES Cc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)cc1 Show InChI InChI=1S/C14H21NO3/c1-10-2-4-11(5-3-10)6-15-7-12(9-16)14(18)13(17)8-15/h2-5,12-14,16-18H,6-9H2,1H3/t12-,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.37E+4	n/a	1.30E+5	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238202 (US9402837, 6) Show SMILES OC[C@H]1CN(Cc2ccccc2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C13H19NO3/c15-9-11-7-14(8-12(16)13(11)17)6-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.30E+4	n/a	2.00E+5	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238206 (US9402837, 10) Show SMILES OC[C@H]1CN(Cc2ccc(F)cc2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C13H18FNO3/c14-11-3-1-9(2-4-11)5-15-6-10(8-16)13(18)12(17)7-15/h1-4,10,12-13,16-18H,5-8H2/t10-,12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.12E+5	n/a	2.70E+5	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238211 (US9402837, 17) Show SMILES OC[C@H]1CN(Cc2ccco2)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C11H17NO4/c13-7-8-4-12(6-10(14)11(8)15)5-9-2-1-3-16-9/h1-3,8,10-11,13-15H,4-7H2/t8-,10-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.16E+5	n/a	2.80E+5	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM238198 (US9402837, 2) Show SMILES CCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-12-6-9(8-13)11(15)10(14)7-12/h9-11,13-15H,2-8H2,1H3/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	4.06E+5	n/a	9.80E+5	n/a	n/a	n/a	n/a	4.5	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...				US Patent US9402837 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RPB
					More data for this Ligand-Target Pair