Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM129596'   

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))	BDBM129596 (US8802663, 137 | US8802663, 149) Show SMILES C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1cccn1 Show InChI InChI=1S/C26H25N7O/c1-2-5-22(6-3-1)33-24(20-11-14-27-15-12-20)23(17-29-33)26-30-25(31-34-26)21-9-7-19(8-10-21)18-32-16-4-13-28-32/h4,7-17,22H,1-3,5-6,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.16	-44.0	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))	BDBM129596 (US8802663, 137 | US8802663, 149) Show SMILES C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1cccn1 Show InChI InChI=1S/C26H25N7O/c1-2-5-22(6-3-1)33-24(20-11-14-27-15-12-20)23(17-29-33)26-30-25(31-34-26)21-9-7-19(8-10-21)18-32-16-4-13-28-32/h4,7-17,22H,1-3,5-6,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.20	-44.0	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