Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM50394831'   

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))	BDBM50394831 (CHEMBL2164233) Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...				J Med Chem 55: 4479-88 (2012) Article DOI: 10.1021/jm300342q BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50394831 (CHEMBL2164233) Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...				J Med Chem 55: 4479-88 (2012) Article DOI: 10.1021/jm300342q BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50394831 (CHEMBL2164233) Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/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	530	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...				J Med Chem 55: 4479-88 (2012) Article DOI: 10.1021/jm300342q BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50394831 (CHEMBL2164233) Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/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	530	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...				J Med Chem 55: 4479-88 (2012) Article DOI: 10.1021/jm300342q BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50394831 (CHEMBL2164233) Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/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	1.72E+3	n/a	n/a	n/a	n/a	5.2	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...				J Med Chem 55: 4479-88 (2012) Article DOI: 10.1021/jm300342q BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50394831 (CHEMBL2164233) Show SMILES CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25(18-16-14-12-10-8-6-4-2)19-20(26)22(28)24(30)23(29)21(19)27/h19-24,26-30H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,24-/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	1.72E+3	n/a	n/a	n/a	n/a	5.2	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...				J Med Chem 55: 4479-88 (2012) Article DOI: 10.1021/jm300342q BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
					More data for this Ligand-Target Pair