BDBM50246569 CHEMBL505422::Methyl 6-[N2-dansyl-N6-(1,5-dideoxy-D-galactitol-1,5-diyl)-L-lysinyl]amino hexanoate

SMILES: COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C

InChI Key: InChIKey=KIAVOUPXBIKGEF-SSPCLOMZSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50246569   

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 (Homo sapiens (Human))	BDBM50246569 (CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy...) Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r| Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...				Bioorg Med Chem Lett 21: 6872-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.012 BindingDB Entry DOI: 10.7270/Q24B31RQ
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50246569 (CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy...) Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r| Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta galactosidase				Bioorg Med Chem 16: 10216-20 (2008) Article DOI: 10.1016/j.bmc.2008.10.054 BindingDB Entry DOI: 10.7270/Q2DZ085J
					More data for this Ligand-Target Pair