Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50585252'   

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))	BDBM50585252 (CHEMBL5076177) Show SMILES COc1cc(OC)c(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
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