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BDBM50027956 CHEMBL3344436

SMILES: OC(=O)C1CN(Cc2cc(Cl)c(cc2F)-c2nc(no2)N2CCN(CC2)C(=O)C2CCCC2)C1

InChI Key: InChIKey=STZOUPXERQYDJW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50027956   
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 3


(Homo sapiens (Human))
BDBM50027956
PNG
(CHEMBL3344436)
Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(cc2F)-c2nc(no2)N2CCN(CC2)C(=O)C2CCCC2)C1
Show InChI InChI=1S/C23H27ClFN5O4/c24-18-9-15(11-28-12-16(13-28)22(32)33)19(25)10-17(18)20-26-23(27-34-20)30-7-5-29(6-8-30)21(31)14-3-1-2-4-14/h9-10,14,16H,1-8,11-13H2,(H,32,33)
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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in human EDG3-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay


Bioorg Med Chem Lett 24: 4807-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.003
BindingDB Entry DOI: 10.7270/Q28C9XT7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50027956
PNG
(CHEMBL3344436)
Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(cc2F)-c2nc(no2)N2CCN(CC2)C(=O)C2CCCC2)C1
Show InChI InChI=1S/C23H27ClFN5O4/c24-18-9-15(11-28-12-16(13-28)22(32)33)19(25)10-17(18)20-26-23(27-34-20)30-7-5-29(6-8-30)21(31)14-3-1-2-4-14/h9-10,14,16H,1-8,11-13H2,(H,32,33)
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay


Bioorg Med Chem Lett 24: 4807-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.003
BindingDB Entry DOI: 10.7270/Q28C9XT7
More data for this
Ligand-Target Pair