Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM129594'   

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))	BDBM129594 (US8802663, 135 | US8802663, 143) Show SMILES COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1cccc(COCC(O)=O)c1 Show InChI InChI=1S/C22H26N4O5/c1-29-13-19-18(11-23-26(19)17-8-3-2-4-9-17)22-24-21(25-31-22)16-7-5-6-15(10-16)12-30-14-20(27)28/h5-7,10-11,17H,2-4,8-9,12-14H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	41.5	-39.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells wer...				US Patent US8802663 (2014) BindingDB Entry DOI: 10.7270/Q2ZC81K5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM129594 (US8802663, 135 | US8802663, 143) Show SMILES COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1cccc(COCC(O)=O)c1 Show InChI InChI=1S/C22H26N4O5/c1-29-13-19-18(11-23-26(19)17-8-3-2-4-9-17)22-24-21(25-31-22)16-7-5-6-15(10-16)12-30-14-20(27)28/h5-7,10-11,17H,2-4,8-9,12-14H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	41.5	-39.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells wer...				US Patent US8802663 (2014) BindingDB Entry DOI: 10.7270/Q2ZC81K5
					More data for this Ligand-Target Pair