Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50149570'   

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))	BDBM50149570 (CHEMBL3769451) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cc2CN(CCCC(O)=O)CCc2n1 Show InChI InChI=1S/C21H24ClN5O3S/c1-13(2)30-18-6-5-14(10-16(18)22)20-23-24-21(31-20)27-12-15-11-26(8-3-4-19(28)29)9-7-17(15)25-27/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,28,29)	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	13	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay				J Med Chem 59: 1003-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50149570 (CHEMBL3769451) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cc2CN(CCCC(O)=O)CCc2n1 Show InChI InChI=1S/C21H24ClN5O3S/c1-13(2)30-18-6-5-14(10-16(18)22)20-23-24-21(31-20)27-12-15-11-26(8-3-4-19(28)29)9-7-17(15)25-27/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,28,29)	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	5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay				J Med Chem 59: 1003-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C
					More data for this Ligand-Target Pair