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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM65320'   
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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65320
PNG
(US10166249, Example 635 | US9522888, 635)
Show SMILES CCCCC1CCc2cc(ccc2C1=O)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H30NO5P/c1-2-3-4-14-5-6-16-11-15(7-8-18(16)19(14)22)17-9-10-20(21,12-17)13-26-27(23,24)25/h7-8,11,14,17H,2-6,9-10,12-13,21H2,1H3,(H2,23,24,25)/t14?,17-,20+/s2
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>625n/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65320
PNG
(US10166249, Example 635 | US9522888, 635)
Show SMILES CCCCC1CCc2cc(ccc2C1=O)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C20H30NO5P/c1-2-3-4-14-5-6-16-11-15(7-8-18(16)19(14)22)17-9-10-20(21,12-17)13-26-27(23,24)25/h7-8,11,14,17H,2-6,9-10,12-13,21H2,1H3,(H2,23,24,25)/t14?,17-,20+/s2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>625n/an/an/a60



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair