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Compile Data Set for Download or QSAR

Found 1 hit of ki data for polymerid = 50007661,50007662   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingomyelin phosphodiesterase


(Homo sapiens)
BDBM50520425
PNG
(CHEMBL4556453)
Show SMILES CCCCCCCCCCCCC\C=C\[C@H](O)[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=S)NC(C)(C)C
Show InChI InChI=1S/C28H58N3O5PS/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(32)25(29-27(38)30-28(2,3)4)24-36-37(33,34)35-23-22-31(5,6)7/h20-21,25-26,32H,8-19,22-24H2,1-7H3,(H2-,29,30,33,34,38)/b21-20+/t25-,26+/m1/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
7.00E+4n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase (unknown origin)


J Med Chem 63: 961-974 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00739
More data for this
Ligand-Target Pair