BDBM50424953 CHEMBL2315819

SMILES: CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(O)=O)cc1C(F)(F)F

InChI Key: InChIKey=KSSHDSRUZZMQAH-IBGZPJMESA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 50424953   

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))	BDBM50424953 (CHEMBL2315819) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(O)=O)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H29F3N2O4/c1-3-4-5-6-7-8-11-29-16-10-9-14(12-15(16)20(21,22)23)25-18(28)19(2,24)13-17(26)27/h9-10,12H,3-8,11,13,24H2,1-2H3,(H,25,28)(H,26,27)/t19-/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	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding				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))	BDBM50424953 (CHEMBL2315819) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(O)=O)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H29F3N2O4/c1-3-4-5-6-7-8-11-29-16-10-9-14(12-15(16)20(21,22)23)25-18(28)19(2,24)13-17(26)27/h9-10,12H,3-8,11,13,24H2,1-2H3,(H,25,28)(H,26,27)/t19-/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	95	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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50424953 (CHEMBL2315819) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(O)=O)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H29F3N2O4/c1-3-4-5-6-7-8-11-29-16-10-9-14(12-15(16)20(21,22)23)25-18(28)19(2,24)13-17(26)27/h9-10,12H,3-8,11,13,24H2,1-2H3,(H,25,28)(H,26,27)/t19-/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	n/a	n/a	135	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding				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 3 (Homo sapiens (Human))	BDBM50424953 (CHEMBL2315819) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(O)=O)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H29F3N2O4/c1-3-4-5-6-7-8-11-29-16-10-9-14(12-15(16)20(21,22)23)25-18(28)19(2,24)13-17(26)27/h9-10,12H,3-8,11,13,24H2,1-2H3,(H,25,28)(H,26,27)/t19-/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