BDBM50143201 CHEMBL3759864

SMILES: CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C2(CC2)C(O)=O)c1

InChI Key: InChIKey=UJALKKPSLFYGLX-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 = 50143201   

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 2 (Homo sapiens (Human))	BDBM50143201 (CHEMBL3759864) Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C2(CC2)C(O)=O)c1 Show InChI InChI=1S/C32H35FN2O6/c1-21(2)20-31(39)13-15-35(16-14-31)30(38)34-24-17-27(19-28(18-24)41-26-9-5-23(33)6-10-26)40-25-7-3-22(4-8-25)32(11-12-32)29(36)37/h3-10,17-19,21,39H,11-16,20H2,1-2H3,(H,34,38)(H,36,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Curated by ChEMBL					Assay Description Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...				Bioorg Med Chem Lett 26: 1209-13 (2016) BindingDB Entry DOI: 10.7270/Q2ST7RQ6
					More data for this Ligand-Target Pair