BDBM50148422 4-[(3-Phosphono-propylamino)-methyl]-benzoic acid heptyl ester::CHEMBL117403

SMILES: CCCCCCCOC(=O)c1ccc(CNCCCP(O)(O)=O)cc1

InChI Key: InChIKey=POPQMXAKAVJFNJ-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 = 50148422   

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
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human))	BDBM50148422 (4-[(3-Phosphono-propylamino)-methyl]-benzoic acid ...) Show SMILES CCCCCCCOC(=O)c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C18H30NO5P/c1-2-3-4-5-6-13-24-18(20)17-10-8-16(9-11-17)15-19-12-7-14-25(21,22)23/h8-11,19H,2-7,12-15H2,1H3,(H2,21,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	700	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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50148422 (4-[(3-Phosphono-propylamino)-methyl]-benzoic acid ...) Show SMILES CCCCCCCOC(=O)c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C18H30NO5P/c1-2-3-4-5-6-13-24-18(20)17-10-8-16(9-11-17)15-19-12-7-14-25(21,22)23/h8-11,19H,2-7,12-15H2,1H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30	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 2 (Homo sapiens (Human))	BDBM50148422 (4-[(3-Phosphono-propylamino)-methyl]-benzoic acid ...) Show SMILES CCCCCCCOC(=O)c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C18H30NO5P/c1-2-3-4-5-6-13-24-18(20)17-10-8-16(9-11-17)15-19-12-7-14-25(21,22)23/h8-11,19H,2-7,12-15H2,1H3,(H2,21,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	680	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 3 (Homo sapiens (Human))	BDBM50148422 (4-[(3-Phosphono-propylamino)-methyl]-benzoic acid ...) Show SMILES CCCCCCCOC(=O)c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C18H30NO5P/c1-2-3-4-5-6-13-24-18(20)17-10-8-16(9-11-17)15-19-12-7-14-25(21,22)23/h8-11,19H,2-7,12-15H2,1H3,(H2,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	280	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))	BDBM50148422 (4-[(3-Phosphono-propylamino)-methyl]-benzoic acid ...) Show SMILES CCCCCCCOC(=O)c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C18H30NO5P/c1-2-3-4-5-6-13-24-18(20)17-10-8-16(9-11-17)15-19-12-7-14-25(21,22)23/h8-11,19H,2-7,12-15H2,1H3,(H2,21,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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