Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50313343'   

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 3 (Homo sapiens (Human))	BDBM50313343 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl...) Show SMILES CNS(=O)(=O)c1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)c(C)c1 Show InChI InChI=1S/C23H31N5O3S/c1-16-12-19(32(30,31)24-2)10-11-20(16)27-23(29)21-13-22(26-15-25-21)28(14-17-8-9-17)18-6-4-3-5-7-18/h10-13,15,17-18,24H,3-9,14H2,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	2.47E+3	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