BDBM50402739 CHEMBL2207776

SMILES: CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CNCC(O)=O)cc1

InChI Key: InChIKey=NBYYZVWTHSGKSU-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50402739   

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))	BDBM50402739 (CHEMBL2207776) Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CNCC(O)=O)cc1 Show InChI InChI=1S/C22H23FN4O3S/c1-2-3-12-27(21(30)17-6-4-5-7-18(17)23)22-26-25-20(31-22)16-10-8-15(9-11-16)13-24-14-19(28)29/h4-11,24H,2-3,12-14H2,1H3,(H,28,29)	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	4.55E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 7672-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.110 BindingDB Entry DOI: 10.7270/Q21837PP
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50402739 (CHEMBL2207776) Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CNCC(O)=O)cc1 Show InChI InChI=1S/C22H23FN4O3S/c1-2-3-12-27(21(30)17-6-4-5-7-18(17)23)22-26-25-20(31-22)16-10-8-15(9-11-16)13-24-14-19(28)29/h4-11,24H,2-3,12-14H2,1H3,(H,28,29)	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	56	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 7672-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.110 BindingDB Entry DOI: 10.7270/Q21837PP
					More data for this Ligand-Target Pair