Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50164823'   

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 3 (Homo sapiens (Human))	BDBM50164823 (CHEMBL3800133) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCC1 |r| Show InChI InChI=1S/C26H32N4O6/c1-4-16-9-18(8-15(2)24(16)35-14-20(32)12-27-22(33)13-31)25-29-26(36-30-25)19-10-21(17-6-5-7-17)28-23(11-19)34-3/h8-11,17,20,31-32H,4-7,12-14H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP				Eur J Med Chem 115: 326-41 (2016) Article DOI: 10.1016/j.ejmech.2016.03.020 BindingDB Entry DOI: 10.7270/Q2M90BK2
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