BDBM50424946 CHEMBL2315815

SMILES: CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CCC(O)=O)cc1

InChI Key: InChIKey=OKOMOCJXZQHNDF-KRWDZBQOSA-N

Data: 2 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 2 hits for monomerid = 50424946   

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 3 (Homo sapiens (Human))	BDBM50424946 (CHEMBL2315815) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CCC(O)=O)cc1 |r| Show InChI InChI=1S/C19H30N2O4/c1-2-3-4-5-6-7-14-25-16-10-8-15(9-11-16)21-19(24)17(20)12-13-18(22)23/h8-11,17H,2-7,12-14,20H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P3 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2012.11.053 BindingDB Entry DOI: 10.7270/Q2X63P82
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50424946 (CHEMBL2315815) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CCC(O)=O)cc1 |r| Show InChI InChI=1S/C19H30N2O4/c1-2-3-4-5-6-7-14-25-16-10-8-15(9-11-16)21-19(24)17(20)12-13-18(22)23/h8-11,17H,2-7,12-14,20H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2012.11.053 BindingDB Entry DOI: 10.7270/Q2X63P82
					More data for this Ligand-Target Pair