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BDBM506620 US11046646, Example 17

SMILES: CCCCCCCCc1ccc(N2CCC(N)(COP(O)(O)=O)C2=O)c(C)c1

InChI Key: InChIKey=TVXOPSPSKIHWCZ-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 506620   
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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM506620
PNG
(US11046646, Example 17)
Show SMILES CCCCCCCCc1ccc(N2CCC(N)(COP(O)(O)=O)C2=O)c(C)c1
Show InChI InChI=1S/C20H33N2O5P/c1-3-4-5-6-7-8-9-17-10-11-18(16(2)14-17)22-13-12-20(21,19(22)23)15-27-28(24,25)26/h10-11,14H,3-9,12-13,15,21H2,1-2H3,(H2,24,25,26)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>6.00E+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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM506620
PNG
(US11046646, Example 17)
Show SMILES CCCCCCCCc1ccc(N2CCC(N)(COP(O)(O)=O)C2=O)c(C)c1
Show InChI InChI=1S/C20H33N2O5P/c1-3-4-5-6-7-8-9-17-10-11-18(16(2)14-17)22-13-12-20(21,19(22)23)15-27-28(24,25)26/h10-11,14H,3-9,12-13,15,21H2,1-2H3,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 161n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US11046646 (2021)

More data for this
Ligand-Target Pair