BDBM50424949 CHEMBL2315817

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

InChI Key: InChIKey=VHUOHIXIFZFTDD-AIGDTVQASA-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 = 50424949   

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))	BDBM50424949 (CHEMBL2315817) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C20H30N2O4/c1-3-4-5-6-7-8-15-26-17-11-9-16(10-12-17)22-19(25)20(2,21)14-13-18(23)24/h9-14H,3-8,15,21H2,1-2H3,(H,22,25)(H,23,24)/b14-13+/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50424949 (CHEMBL2315817) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C20H30N2O4/c1-3-4-5-6-7-8-15-26-17-11-9-16(10-12-17)22-19(25)20(2,21)14-13-18(23)24/h9-14H,3-8,15,21H2,1-2H3,(H,22,25)(H,23,24)/b14-13+/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	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