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BDBM50381894 CHEMBL2022912

SMILES: CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1

InChI Key: InChIKey=DIFHMHFQLWIJPW-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 = 50381894   
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))
BDBM50381894
PNG
(CHEMBL2022912)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C24H28N2O3S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)30-22(16)21-10-25-23(31-21)17-6-7-20(15(4)8-17)29-14(2)3/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
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))
BDBM50381894
PNG
(CHEMBL2022912)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C24H28N2O3S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)30-22(16)21-10-25-23(31-21)17-6-7-20(15(4)8-17)29-14(2)3/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/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