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BDBM317453 BDBM50165434::US9617250, Example 1 Example 204 of D1

SMILES: CCC(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1

InChI Key:

Data: 3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 317453   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM317453
PNG
(BDBM50165434 | US9617250, Example 1 Example 204 of...)
Show SMILES CCC(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 0.200n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM317453
PNG
(BDBM50165434 | US9617250, Example 1 Example 204 of...)
Show SMILES CCC(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 44n/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent




US Patent US9617250 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QKR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM317453
PNG
(BDBM50165434 | US9617250, Example 1 Example 204 of...)
Show SMILES CCC(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.200n/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent




US Patent US9617250 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QKR
More data for this
Ligand-Target Pair