Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM190527'   

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))	BDBM190527 (US9181182, 51) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C23H27ClN4O4/c1-14(2)31-20-6-4-17(10-18(20)24)22-26-21(27-32-22)16-3-5-19-15(9-16)7-8-28(19)11-23(25,12-29)13-30/h3-6,9-10,14,29-30H,7-8,11-13,25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
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