BDBM129583 US8802663, 96

SMILES: CC(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1C1CCOCC1

InChI Key: InChIKey=VFEDEXVFCRFEQD-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 129583   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM129583 (US8802663, 96) Show SMILES CC(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1C1CCOCC1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)12-30-22(18-7-9-33-10-8-18)21(11-26-30)24-27-23(28-34-24)19-5-3-17(4-6-19)13-29-14-20(15-29)25(31)32/h3-6,11,16,18,20H,7-10,12-15H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.5	-10.4	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