Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50361892'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50361892 (CHEMBL1938937) Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)	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	70	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...				Bioorg Med Chem Lett 22: 527-31 (2011) Article DOI: 10.1016/j.bmcl.2011.10.085 BindingDB Entry DOI: 10.7270/Q2PG1S67
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50361892 (CHEMBL1938937) Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)	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	70	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at S1P1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.9b02092 BindingDB Entry DOI: 10.7270/Q2H135Q7
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50361892 (CHEMBL1938937) Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)	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	70	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr				ACS Med Chem Lett 3: 74-78 (2012) Article DOI: 10.1021/ml200252b BindingDB Entry DOI: 10.7270/Q2222VTS
					More data for this Ligand-Target Pair