BDBM50148424 CHEMBL118815::[3-(3-Bromo-5-methoxy-4-undecyloxy-benzylamino)-propyl]-phosphonic acid

SMILES: CCCCCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC

InChI Key: InChIKey=FSCOADFARBASQU-UHFFFAOYSA-N

Data: 5 IC50

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 = 50148424   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50148424 (CHEMBL118815 | [3-(3-Bromo-5-methoxy-4-undecyloxy-...) Show SMILES CCCCCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC Show InChI InChI=1S/C22H39BrNO5P/c1-3-4-5-6-7-8-9-10-11-14-29-22-20(23)16-19(17-21(22)28-2)18-24-13-12-15-30(25,26)27/h16-17,24H,3-15,18H2,1-2H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50148424 (CHEMBL118815 | [3-(3-Bromo-5-methoxy-4-undecyloxy-...) Show SMILES CCCCCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC Show InChI InChI=1S/C22H39BrNO5P/c1-3-4-5-6-7-8-9-10-11-14-29-22-20(23)16-19(17-21(22)28-2)18-24-13-12-15-30(25,26)27/h16-17,24H,3-15,18H2,1-2H3,(H2,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148424 (CHEMBL118815 | [3-(3-Bromo-5-methoxy-4-undecyloxy-...) Show SMILES CCCCCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC Show InChI InChI=1S/C22H39BrNO5P/c1-3-4-5-6-7-8-9-10-11-14-29-22-20(23)16-19(17-21(22)28-2)18-24-13-12-15-30(25,26)27/h16-17,24H,3-15,18H2,1-2H3,(H2,25,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148424 (CHEMBL118815 | [3-(3-Bromo-5-methoxy-4-undecyloxy-...) Show SMILES CCCCCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC Show InChI InChI=1S/C22H39BrNO5P/c1-3-4-5-6-7-8-9-10-11-14-29-22-20(23)16-19(17-21(22)28-2)18-24-13-12-15-30(25,26)27/h16-17,24H,3-15,18H2,1-2H3,(H2,25,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human))	BDBM50148424 (CHEMBL118815 | [3-(3-Bromo-5-methoxy-4-undecyloxy-...) Show SMILES CCCCCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC Show InChI InChI=1S/C22H39BrNO5P/c1-3-4-5-6-7-8-9-10-11-14-29-22-20(23)16-19(17-21(22)28-2)18-24-13-12-15-30(25,26)27/h16-17,24H,3-15,18H2,1-2H3,(H2,25,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair