BDBM50381890 CHEMBL2022903

SMILES: CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(C)c1

InChI Key: InChIKey=KNHKZZXNDFIVNF-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 = 50381890   

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 1 (Homo sapiens (Human))	BDBM50381890 (CHEMBL2022903) Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(C)c1 Show InChI InChI=1S/C24H28N2O3S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)30-22(16)23-25-10-21(31-23)17-6-7-20(15(4)8-17)29-14(2)3/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)	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	3.40	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
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50381890 (CHEMBL2022903) Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(C)c1 Show InChI InChI=1S/C24H28N2O3S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)30-22(16)23-25-10-21(31-23)17-6-7-20(15(4)8-17)29-14(2)3/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)	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