Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM50196521'   

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))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	5.9	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5.9 preincubated for 5 mins followed by addition...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 5.9.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 7 preincubated for 5 mins followed by addition o...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 7.0.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 5.0.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	5.0	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5 preincubated for 5 mins followed by addition o...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					More data for this Ligand-Target Pair