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Compile Data Set for Download or QSAR

Found 2 hits of ic50 data for polymerid = 50000847   
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
Sialin


(Homo sapiens)
BDBM50545752
PNG
(CHEMBL4646356)
Show SMILES OC(=O)[C@H](CSCc1cc(=O)oc2cc(O)ccc12)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C28H23NO7S/c30-17-9-10-18-16(11-26(31)36-25(18)12-17)14-37-15-24(27(32)33)29-28(34)35-13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24,30H,13-15H2,(H,29,34)(H,32,33)/t24-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Universit£ de Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...


J Med Chem 63: 8231-8249 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02119
BindingDB Entry DOI: 10.7270/Q2PG1WB8
More data for this
Ligand-Target Pair
Sialin


(Homo sapiens)
BDBM115093
PNG
((2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.33E+4n/an/an/an/an/an/a



Universit£ de Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...


J Med Chem 63: 8231-8249 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02119
BindingDB Entry DOI: 10.7270/Q2PG1WB8
More data for this
Ligand-Target Pair