Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM183710'   

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))	BDBM183710 (US9150519, 1-113) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C20H23N5O/c1-2-10-25(12-14-6-7-14)19-11-18(22-13-23-19)20(26)24-17-5-3-4-16-15(17)8-9-21-16/h3-5,8-9,11,13-14,21H,2,6-7,10,12H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25	-40.3	n/a	n/a	n/a	n/a	n/a	7.4	4
MERCK SERONO SA US Patent					Assay Description Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRI...				US Patent US9150519 (2015) BindingDB Entry DOI: 10.7270/Q2H993ZK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM183710 (US9150519, 1-113) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C20H23N5O/c1-2-10-25(12-14-6-7-14)19-11-18(22-13-23-19)20(26)24-17-5-3-4-16-15(17)8-9-21-16/h3-5,8-9,11,13-14,21H,2,6-7,10,12H2,1H3,(H,24,26)	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	56	n/a	n/a	7.4	30
MERCK SERONO SA US Patent					Assay Description Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 µg protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElm...				US Patent US9150519 (2015) BindingDB Entry DOI: 10.7270/Q2H993ZK
					More data for this Ligand-Target Pair