Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM190520'   

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))	BDBM190520 (US9181182, 47) Show SMILES CCCc1ccc(cc1CCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C26H34N4O3/c1-3-6-18-10-11-20(14-19(18)7-4-2)25-28-24(29-33-25)22-8-5-9-23-21(22)12-13-30(23)15-26(27,16-31)17-32/h5,8-11,14,31-32H,3-4,6-7,12-13,15-17,27H2,1-2H3	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	2.40	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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