BDBM50209044 CHEMBL3884011

SMILES: OC(=O)c1ccc(CNCc2cc3c(cccc3s2)-c2ccc3ccccc3c2)cc1

InChI Key: InChIKey=YSQLRLSKRCCCEG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50209044   

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 5 (Homo sapiens (Human))	BDBM50209044 (CHEMBL3884011) Show SMILES OC(=O)c1ccc(CNCc2cc3c(cccc3s2)-c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H21NO2S/c29-27(30)20-10-8-18(9-11-20)16-28-17-23-15-25-24(6-3-7-26(25)31-23)22-13-12-19-4-1-2-5-21(19)14-22/h1-15,28H,16-17H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	356	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...				Bioorg Med Chem Lett 27: 1-5 (2017) Article DOI: 10.1016/j.bmcl.2016.11.050 BindingDB Entry DOI: 10.7270/Q241702R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50209044 (CHEMBL3884011) Show SMILES OC(=O)c1ccc(CNCc2cc3c(cccc3s2)-c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H21NO2S/c29-27(30)20-10-8-18(9-11-20)16-28-17-23-15-25-24(6-3-7-26(25)31-23)22-13-12-19-4-1-2-5-21(19)14-22/h1-15,28H,16-17H2,(H,29,30)	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	>1.00E+5	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...				Bioorg Med Chem Lett 27: 1-5 (2017) Article DOI: 10.1016/j.bmcl.2016.11.050 BindingDB Entry DOI: 10.7270/Q241702R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50209044 (CHEMBL3884011) Show SMILES OC(=O)c1ccc(CNCc2cc3c(cccc3s2)-c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H21NO2S/c29-27(30)20-10-8-18(9-11-20)16-28-17-23-15-25-24(6-3-7-26(25)31-23)22-13-12-19-4-1-2-5-21(19)14-22/h1-15,28H,16-17H2,(H,29,30)	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	>1.00E+5	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at recombinant human S1PR3 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...				Bioorg Med Chem Lett 27: 1-5 (2017) Article DOI: 10.1016/j.bmcl.2016.11.050 BindingDB Entry DOI: 10.7270/Q241702R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50209044 (CHEMBL3884011) Show SMILES OC(=O)c1ccc(CNCc2cc3c(cccc3s2)-c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H21NO2S/c29-27(30)20-10-8-18(9-11-20)16-28-17-23-15-25-24(6-3-7-26(25)31-23)22-13-12-19-4-1-2-5-21(19)14-22/h1-15,28H,16-17H2,(H,29,30)	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	>1.00E+5	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at recombinant human S1PR1 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...				Bioorg Med Chem Lett 27: 1-5 (2017) Article DOI: 10.1016/j.bmcl.2016.11.050 BindingDB Entry DOI: 10.7270/Q241702R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50209044 (CHEMBL3884011) Show SMILES OC(=O)c1ccc(CNCc2cc3c(cccc3s2)-c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H21NO2S/c29-27(30)20-10-8-18(9-11-20)16-28-17-23-15-25-24(6-3-7-26(25)31-23)22-13-12-19-4-1-2-5-21(19)14-22/h1-15,28H,16-17H2,(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at recombinant human S1PR2 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...				Bioorg Med Chem Lett 27: 1-5 (2017) Article DOI: 10.1016/j.bmcl.2016.11.050 BindingDB Entry DOI: 10.7270/Q241702R
					More data for this Ligand-Target Pair