BDBM50254109 CHEMBL4069909

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO

InChI Key: InChIKey=UQDXIILZCYJPNV-GXWFBMCDSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50254109   

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
Beta-galactosidase/Glucosylceramidase (Bos taurus (Bovine))	BDBM50254109 (CHEMBL4069909) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Competitive inhibition of Bovine liver beta-galactosidase using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins be...				Bioorg Med Chem Lett 27: 3431-3435 (2017) Article DOI: 10.1016/j.bmcl.2017.05.086 BindingDB Entry DOI: 10.7270/Q29889D9
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50254109 (CHEMBL4069909) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Competitive inhibition of recombinant beta-glucocerebrosidase (unknown origin) using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubate...				Bioorg Med Chem Lett 27: 3431-3435 (2017) Article DOI: 10.1016/j.bmcl.2017.05.086 BindingDB Entry DOI: 10.7270/Q29889D9
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50254109 (CHEMBL4069909) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Competitive inhibition of human fibroblast lysosomal beta-galactosidase using 4-methylumbelliferyl-beta-D-galactopyranoside as substrate pre-incubate...				Bioorg Med Chem Lett 27: 3431-3435 (2017) Article DOI: 10.1016/j.bmcl.2017.05.086 BindingDB Entry DOI: 10.7270/Q29889D9
					More data for this Ligand-Target Pair