BDBM50152337 2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}methyl)-4-(4-octylphenyl)butan-1-ol::3-(N-alkylamino) propylphosphonic acid derivative

SMILES: CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1

InChI Key: InChIKey=KKNUGAMJKIHACQ-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 = 50152337   

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))	BDBM50152337 (2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1 Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes				Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50152337 (2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1 Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes				Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50152337 (2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1 Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 3 expressed on CHO cell membranes				Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50152337 (2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1 Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranes				Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152337 (2-amino-2-({[dihydroxy(oxido)--phosphanyl]oxy}meth...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)[O-])cc1 Show InChI InChI=1S/C19H35NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21-23,26H,2-8,13-16,20H2,1H3/q-1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes				Bioorg Med Chem Lett 14: 4861-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.049 BindingDB Entry DOI: 10.7270/Q2BK1D38
					More data for this Ligand-Target Pair