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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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50246569   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-galactosidase


(Homo sapiens)
BDBM50246569
PNG
(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
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

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
600n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50246569
PNG
(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
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

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta galactosidase


Bioorg Med Chem 16: 10216-20 (2008)

More data for this
Ligand-Target Pair