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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM506622'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM506622
PNG
(US11046646, Example 20)
Show SMILES CCCCCCCCc1ccc(cc1)N1CCC(N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C19H33N2O4P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)21-14-13-19(20,15-21)16-25-26(22,23)24/h9-12H,2-8,13-16,20H2,1H3,(H2,22,23,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>3.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


US Patent US11046646 (2021)

More data for this
Ligand-Target Pair