BDBM129605 US8802663, 146

SMILES: COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1ccc(cc1)C(=O)NCCC(O)=O

InChI Key: InChIKey=XFBPRJFNKASULK-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 = 129605   

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))	BDBM129605 (US8802663, 146) Show SMILES COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C23H27N5O5/c1-32-14-19-18(13-25-28(19)17-5-3-2-4-6-17)23-26-21(27-33-23)15-7-9-16(10-8-15)22(31)24-12-11-20(29)30/h7-10,13,17H,2-6,11-12,14H2,1H3,(H,24,31)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.90	-10.1	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