new BindingDB logo
myBDB logout

BDBM50198835 CHEMBL226612::[3-amino-3-(4-decylphenylcarbamoyl)-2-fluoropropyl]-phosphonic acid

SMILES: CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(O)(O)=O)cc1

InChI Key: InChIKey=AOBJVCONKJVQNW-MRTLOADZSA-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 = 50198835   
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))
BDBM50198835
PNG
(CHEMBL226612 | [3-amino-3-(4-decylphenylcarbamoyl)...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(O)(O)=O)cc1
Show InChI InChI=1S/C20H34FN2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)23-20(24)18(22)15-19(21)28-29(25,26)27/h11-14,18-19H,2-10,15,22H2,1H3,(H,23,24)(H2,25,26,27)/t18-,19?/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 23n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P3 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50198835
PNG
(CHEMBL226612 | [3-amino-3-(4-decylphenylcarbamoyl)...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(O)(O)=O)cc1
Show InChI InChI=1S/C20H34FN2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)23-20(24)18(22)15-19(21)28-29(25,26)27/h11-14,18-19H,2-10,15,22H2,1H3,(H,23,24)(H2,25,26,27)/t18-,19?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50198835
PNG
(CHEMBL226612 | [3-amino-3-(4-decylphenylcarbamoyl)...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(O)(O)=O)cc1
Show InChI InChI=1S/C20H34FN2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)23-20(24)18(22)15-19(21)28-29(25,26)27/h11-14,18-19H,2-10,15,22H2,1H3,(H,23,24)(H2,25,26,27)/t18-,19?/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 170n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P4 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50198835
PNG
(CHEMBL226612 | [3-amino-3-(4-decylphenylcarbamoyl)...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(O)(O)=O)cc1
Show InChI InChI=1S/C20H34FN2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)23-20(24)18(22)15-19(21)28-29(25,26)27/h11-14,18-19H,2-10,15,22H2,1H3,(H,23,24)(H2,25,26,27)/t18-,19?/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 19n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P5 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50198835
PNG
(CHEMBL226612 | [3-amino-3-(4-decylphenylcarbamoyl)...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(O)(O)=O)cc1
Show InChI InChI=1S/C20H34FN2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)23-20(24)18(22)15-19(21)28-29(25,26)27/h11-14,18-19H,2-10,15,22H2,1H3,(H,23,24)(H2,25,26,27)/t18-,19?/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 490n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair