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BDBM506621 US11046646, Example 18

SMILES: CCCCCCCCc1ccc(cc1)N1CCC(N)(COP(O)(O)=O)C1=O

InChI Key: InChIKey=ALQUNKNFOXDXRR-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 = 506621   
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))
BDBM506621
PNG
(US11046646, Example 18)
Show SMILES CCCCCCCCc1ccc(cc1)N1CCC(N)(COP(O)(O)=O)C1=O
Show InChI InChI=1S/C19H31N2O5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21-14-13-19(20,18(21)22)15-26-27(23,24)25/h9-12H,2-8,13-15,20H2,1H3,(H2,23,24,25)
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))
BDBM506621
PNG
(US11046646, Example 18)
Show SMILES CCCCCCCCc1ccc(cc1)N1CCC(N)(COP(O)(O)=O)C1=O
Show InChI InChI=1S/C19H31N2O5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21-14-13-19(20,18(21)22)15-26-27(23,24)25/h9-12H,2-8,13-15,20H2,1H3,(H2,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 454n/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