BDBM50148426 CHEMBL323617::{3-[4-(5-Heptyl-[1,2,4]oxadiazol-3-yl)-benzylamino]-propyl}-phosphonic acid

SMILES: CCCCCCCc1nc(no1)-c1ccc(CNCCCP(O)(O)=O)cc1

InChI Key: InChIKey=VKXANKHCILEVSX-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 = 50148426   

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 2 (Homo sapiens (Human))	BDBM50148426 (CHEMBL323617 | {3-[4-(5-Heptyl-[1,2,4]oxadiazol-3-...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-8-18-21-19(22-26-18)17-11-9-16(10-12-17)15-20-13-7-14-27(23,24)25/h9-12,20H,2-8,13-15H2,1H3,(H2,23,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	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 5 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))	BDBM50148426 (CHEMBL323617 | {3-[4-(5-Heptyl-[1,2,4]oxadiazol-3-...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-8-18-21-19(22-26-18)17-11-9-16(10-12-17)15-20-13-7-14-27(23,24)25/h9-12,20H,2-8,13-15H2,1H3,(H2,23,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	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 2 (Homo sapiens (Human))	BDBM50148426 (CHEMBL323617 | {3-[4-(5-Heptyl-[1,2,4]oxadiazol-3-...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-8-18-21-19(22-26-18)17-11-9-16(10-12-17)15-20-13-7-14-27(23,24)25/h9-12,20H,2-8,13-15H2,1H3,(H2,23,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	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 5 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))	BDBM50148426 (CHEMBL323617 | {3-[4-(5-Heptyl-[1,2,4]oxadiazol-3-...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-8-18-21-19(22-26-18)17-11-9-16(10-12-17)15-20-13-7-14-27(23,24)25/h9-12,20H,2-8,13-15H2,1H3,(H2,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	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 1 (Homo sapiens (Human))	BDBM50148426 (CHEMBL323617 | {3-[4-(5-Heptyl-[1,2,4]oxadiazol-3-...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-8-18-21-19(22-26-18)17-11-9-16(10-12-17)15-20-13-7-14-27(23,24)25/h9-12,20H,2-8,13-15H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	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