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BDBM50381892 CHEMBL2022915

SMILES: CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1

InChI Key: InChIKey=UJXLXABCTKQSAE-UHFFFAOYSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381892   
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))
BDBM50381892
PNG
(CHEMBL2022915)
Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C25H29N3O3S/c1-5-21-20(8-7-19(27-21)14-28-12-18(13-28)25(29)30)23-11-26-24(32-23)17-6-9-22(16(4)10-17)31-15(2)3/h6-11,15,18H,5,12-14H2,1-4H3,(H,29,30)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381892
PNG
(CHEMBL2022915)
Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C25H29N3O3S/c1-5-21-20(8-7-19(27-21)14-28-12-18(13-28)25(29)30)23-11-26-24(32-23)17-6-9-22(16(4)10-17)31-15(2)3/h6-11,15,18H,5,12-14H2,1-4H3,(H,29,30)
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.80n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair