Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM183641'   

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))	BDBM183641 (US9150519, 1-2) Show SMILES Oc1ccc(NC(=O)c2cc(NCC3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C18H22N4O2/c23-15-8-6-14(7-9-15)22-18(24)16-10-17(21-12-20-16)19-11-13-4-2-1-3-5-13/h6-10,12-13,23H,1-5,11H2,(H,22,24)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.23E+3	-29.1	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