Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM127557'   

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))	BDBM127557 (US8791100, 55) Show SMILES CC[C@@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C21H25Cl2N3O2/c1-3-19(14-4-5-17(22)13(2)8-14)25-20-9-16(18(23)10-24-20)12-26-7-6-15(11-26)21(27)28/h4-5,8-10,15,19H,3,6-7,11-12H2,1-2H3,(H,24,25)(H,27,28)/t15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair