Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM50196514'   

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))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	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))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	8.70	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))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	8.70	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))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubat...				J Med Chem 62: 1218-1230 (2019) Article DOI: 10.1021/acs.jmedchem.8b01294 BindingDB Entry DOI: 10.7270/Q280562C
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	9.90	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))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	16.9	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))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	17	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))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	22	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	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	22.4	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