BindingDB logo
myBDB logout

BDBM50209025 CHEMBL3883597

SMILES: OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1

InChI Key: InChIKey=PQTJBCHIJUZFPZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50209025   
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 4


(Homo sapiens (Human))
BDBM50209025
PNG
(CHEMBL3883597)
Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...


Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50209025
PNG
(CHEMBL3883597)
Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR1 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...


Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50209025
PNG
(CHEMBL3883597)
Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR3 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...


Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50209025
PNG
(CHEMBL3883597)
Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...


Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50209025
PNG
(CHEMBL3883597)
Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR2 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...


Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair