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SMILES: OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1

InChI Key: InChIKey=PQTJBCHIJUZFPZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50209025   

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 4 (Homo sapiens (Human))	BDBM50209025 (CHEMBL3883597) Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)	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 1 (Homo sapiens (Human))	BDBM50209025 (CHEMBL3883597) Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)	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 3 (Homo sapiens (Human))	BDBM50209025 (CHEMBL3883597) Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)	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 5 (Homo sapiens (Human))	BDBM50209025 (CHEMBL3883597) Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)	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	22	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 2 (Homo sapiens (Human))	BDBM50209025 (CHEMBL3883597) Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)	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 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