BDBM50203773 5-(4-carboxy-2-(4-(4-(heptadecylamino)phenyl)-2,4-dioxobutyl)phenoxy)isophthalic acid::CHEMBL268805

SMILES: CCCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)CC(=O)Cc1cc(ccc1Oc1cc(cc(c1)C(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=OQMSYSXLVCBYLX-UHFFFAOYSA-N

Data: 1 IC50

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 = 50203773   

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 3 (Homo sapiens (Human))	BDBM50203773 (5-(4-carboxy-2-(4-(4-(heptadecylamino)phenyl)-2,4-...) Show SMILES CCCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)CC(=O)Cc1cc(ccc1Oc1cc(cc(c1)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C42H53NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-43-35-20-17-30(18-21-35)38(45)29-36(44)26-32-24-31(40(46)47)19-22-39(32)52-37-27-33(41(48)49)25-34(28-37)42(50)51/h17-22,24-25,27-28,43H,2-16,23,26,29H2,1H3,(H,46,47)(H,48,49)(H,50,51)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TOA EIYO Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human S1P3 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells				J Med Chem 50: 442-54 (2007) Article DOI: 10.1021/jm060834d BindingDB Entry DOI: 10.7270/Q2NG4Q84
					More data for this Ligand-Target Pair