BDBM50402726 CHEMBL2207790

SMILES: CCCCN(C(=O)c1ccccc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1

InChI Key: InChIKey=UXEZCXRUZCGDNS-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 = 50402726   

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))	BDBM50402726 (CHEMBL2207790) Show SMILES CCCCN(C(=O)c1ccccc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H26N4O3S/c1-2-3-13-28(22(29)19-7-5-4-6-8-19)24-26-25-21(32-24)18-11-9-17(10-12-18)14-27-15-20(16-27)23(30)31/h4-12,20H,2-3,13-16H2,1H3,(H,30,31)	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	4.00E+5	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))	BDBM50402726 (CHEMBL2207790) Show SMILES CCCCN(C(=O)c1ccccc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H26N4O3S/c1-2-3-13-28(22(29)19-7-5-4-6-8-19)24-26-25-21(32-24)18-11-9-17(10-12-18)14-27-15-20(16-27)23(30)31/h4-12,20H,2-3,13-16H2,1H3,(H,30,31)	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	1	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