BDBM50381913 CHEMBL2022902

SMILES: CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)cc1

InChI Key: InChIKey=ISWMRJKYFBBRCA-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 = 50381913   

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))	BDBM50381913 (CHEMBL2022902) Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)cc1 Show InChI InChI=1S/C23H26N2O3S2/c1-4-15-9-19(13-25-11-17(12-25)23(26)27)29-21(15)22-24-10-20(30-22)16-5-7-18(8-6-16)28-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3,(H,26,27)	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	>2.00E+4	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 3083-8 (2012) Article DOI: 10.1016/j.bmcl.2012.03.067 BindingDB Entry DOI: 10.7270/Q2JS9RG9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50381913 (CHEMBL2022902) Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)cc1 Show InChI InChI=1S/C23H26N2O3S2/c1-4-15-9-19(13-25-11-17(12-25)23(26)27)29-21(15)22-24-10-20(30-22)16-5-7-18(8-6-16)28-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3,(H,26,27)	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	10	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 3083-8 (2012) Article DOI: 10.1016/j.bmcl.2012.03.067 BindingDB Entry DOI: 10.7270/Q2JS9RG9
					More data for this Ligand-Target Pair