BDBM50236278 CHEMBL4077472

SMILES: [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI Key: InChIKey=MDCKIUURCNVTTJ-ZMHPAJMFSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50236278   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 in presence of bet...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 in presence of bet...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
α-galactosidase (Coffea arabica (Coffee beans))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair