BDBM50361881 CHEMBL1938927

SMILES: CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1

InChI Key: InChIKey=ADQHYBHAWCALRO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50361881   

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))	BDBM50361881 (CHEMBL1938927) Show SMILES CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1 Show InChI InChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)	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	2.06E+3	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay				Bioorg Med Chem Lett 22: 628-33 (2011) Article DOI: 10.1016/j.bmcl.2011.10.069 BindingDB Entry DOI: 10.7270/Q2T72HW3
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50361881 (CHEMBL1938927) Show SMILES CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1 Show InChI InChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)	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	520	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...				Bioorg Med Chem Lett 22: 628-33 (2011) Article DOI: 10.1016/j.bmcl.2011.10.069 BindingDB Entry DOI: 10.7270/Q2T72HW3
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50361881 (CHEMBL1938927) Show SMILES CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1 Show InChI InChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)	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	100	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...				Bioorg Med Chem Lett 22: 628-33 (2011) Article DOI: 10.1016/j.bmcl.2011.10.069 BindingDB Entry DOI: 10.7270/Q2T72HW3
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50361881 (CHEMBL1938927) Show SMILES CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1 Show InChI InChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)	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	9.75E+3	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay				Bioorg Med Chem Lett 22: 628-33 (2011) Article DOI: 10.1016/j.bmcl.2011.10.069 BindingDB Entry DOI: 10.7270/Q2T72HW3
					More data for this Ligand-Target Pair