Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50361901'   

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))	BDBM50361901 (CHEMBL1938946) Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-6-2-3-8-20(16)29)22(31)28-14-9-10-15(18(12-14)23(24,25)26)19-7-4-5-11-27-19/h2-13H,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	60	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
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Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50361901 (CHEMBL1938946) Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-6-2-3-8-20(16)29)22(31)28-14-9-10-15(18(12-14)23(24,25)26)19-7-4-5-11-27-19/h2-13H,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	60	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