BDBM50148395 2-Hydroxy-4-(4-nonyl-benzylamino)-butyric acid::CHEMBL118068

SMILES: CCCCCCCCCc1ccc(CNCCC(O)C(O)=O)cc1

InChI Key: InChIKey=WMLSDMINRWPYKX-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 = 50148395   

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))	BDBM50148395 (2-Hydroxy-4-(4-nonyl-benzylamino)-butyric acid | C...) Show SMILES CCCCCCCCCc1ccc(CNCCC(O)C(O)=O)cc1 Show InChI InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)16-21-15-14-19(22)20(23)24/h10-13,19,21-22H,2-9,14-16H2,1H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50148395 (2-Hydroxy-4-(4-nonyl-benzylamino)-butyric acid | C...) Show SMILES CCCCCCCCCc1ccc(CNCCC(O)C(O)=O)cc1 Show InChI InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)16-21-15-14-19(22)20(23)24/h10-13,19,21-22H,2-9,14-16H2,1H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148395 (2-Hydroxy-4-(4-nonyl-benzylamino)-butyric acid | C...) Show SMILES CCCCCCCCCc1ccc(CNCCC(O)C(O)=O)cc1 Show InChI InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)16-21-15-14-19(22)20(23)24/h10-13,19,21-22H,2-9,14-16H2,1H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	99	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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50148395 (2-Hydroxy-4-(4-nonyl-benzylamino)-butyric acid | C...) Show SMILES CCCCCCCCCc1ccc(CNCCC(O)C(O)=O)cc1 Show InChI InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)16-21-15-14-19(22)20(23)24/h10-13,19,21-22H,2-9,14-16H2,1H3,(H,23,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+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 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50148395 (2-Hydroxy-4-(4-nonyl-benzylamino)-butyric acid | C...) Show SMILES CCCCCCCCCc1ccc(CNCCC(O)C(O)=O)cc1 Show InChI InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)16-21-15-14-19(22)20(23)24/h10-13,19,21-22H,2-9,14-16H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
					More data for this Ligand-Target Pair