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Compile Data Set for Download or QSAR

Found 2 hits of ki data for polymerid = 50000302   
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
Neutral sphingomyelinase


(Homo sapiens (Human))
BDBM50122309
PNG
(((3S,4R)-1,1-Difluoro-3-hexadecanoylamino-4-hydrox...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P(O)(O)=O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against schyphostatin of neutral sphingomyelinase (N-SMase) from bovine brain microsome


Bioorg Med Chem Lett 13: 229-36 (2002)


Article DOI: 10.1016/s0960-894x(02)00888-0
BindingDB Entry DOI: 10.7270/Q2K64HFH
More data for this
Ligand-Target Pair
Neutral sphingomyelinase


(Homo sapiens (Human))
BDBM50122310
PNG
(((2R,3R,4R)-1,1-Difluoro-3-hexadecanoylamino-2,4-d...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C26H44F2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(30)29-23(24(31)21-18-15-14-16-19-21)25(32)26(27,28)36(33,34)35/h14-16,18-19,23-25,31-32H,2-13,17,20H2,1H3,(H,29,30)(H2,33,34,35)/t23-,24-,25-/m1/s1
NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.53E+5n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral sphingomyelinase (N-SMase) from bovine brain microsomes


Bioorg Med Chem Lett 13: 229-36 (2002)


Article DOI: 10.1016/s0960-894x(02)00888-0
BindingDB Entry DOI: 10.7270/Q2K64HFH
More data for this
Ligand-Target Pair