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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'rísquez' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50395322
PNG
(AMBROXOL)
Show SMILES Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 |wU:14.15,wD:11.11,(9.88,-5.24,;9.1,-6.63,;7.56,-6.63,;6.74,-5.3,;6.8,-7.96,;7.56,-9.29,;6.77,-10.67,;9.08,-9.29,;9.88,-7.96,;11.4,-7.96,;12.18,-6.63,;13.74,-6.63,;14.51,-7.96,;16.03,-7.96,;16.81,-6.63,;18.35,-6.63,;16.03,-5.3,;14.48,-5.3,)|
Show InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Universitat Rovira i Virgili

Curated by ChEMBL


Assay Description
Inhibition of beta-glucocerebrosidase in human fibroblast lysate using 4-methylumbelliferyl beta-D-glycopyranoside as substrate by fluorimetric analy...


J Med Chem 55: 6857-65 (2012)


Article DOI: 10.1021/jm3006178
BindingDB Entry DOI: 10.7270/Q2R212GM
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50395323
PNG
(CHEMBL2164031)
Show SMILES OCCCCCCCCCCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1 |r,t:18|
Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



Universitat Rovira i Virgili

Curated by ChEMBL


Assay Description
Inhibition of beta-glucocerebrosidase in human fibroblast lysate using 4-methylumbelliferyl beta-D-glycopyranoside as substrate by fluorimetric analy...


J Med Chem 55: 6857-65 (2012)


Article DOI: 10.1021/jm3006178
BindingDB Entry DOI: 10.7270/Q2R212GM
More data for this
Ligand-Target Pair