Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50165455'   

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))	BDBM50165455 (CHEMBL3126595) Show SMILES CCN(CC)c1cc(cc(C)n1)-c1nnc(o1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C26H35N5O5/c1-6-18-11-19(9-16(4)24(18)35-15-21(33)13-27-23(34)14-32)25-29-30-26(36-25)20-10-17(5)28-22(12-20)31(7-2)8-3/h9-12,21,32-33H,6-8,13-15H2,1-5H3,(H,27,34)/t21-/m0/s1	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	7.90	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...				Eur J Med Chem 116: 222-238 (2016) Article DOI: 10.1016/j.ejmech.2016.03.048 BindingDB Entry DOI: 10.7270/Q2ST7RRN
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