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BDBM50034570 CHEMBL3359840

SMILES: CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1

InChI Key: InChIKey=AGTGVLAOPNEXOS-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50034570   
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))
BDBM50034570
PNG
(CHEMBL3359840)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C24H24N4O5/c1-15(2)32-21-6-4-17(12-18(21)13-25)24-26-23(27-33-24)16-3-5-20-19(11-16)14-28(9-10-31-20)8-7-22(29)30/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
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PC sid
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Article
PubMed
n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50034570
PNG
(CHEMBL3359840)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C24H24N4O5/c1-15(2)32-21-6-4-17(12-18(21)13-25)24-26-23(27-33-24)16-3-5-20-19(11-16)14-28(9-10-31-20)8-7-22(29)30/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair