BDBM50065623 CHEMBL3400194

SMILES: CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cccc(Oc2ccccc2)c1C

InChI Key: InChIKey=QQQQTJUTYTVAOX-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 = 50065623   

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))	BDBM50065623 (CHEMBL3400194) Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cccc(Oc2ccccc2)c1C Show InChI InChI=1S/C25H34N2O3/c1-4-20(5-2)18-25(29)14-16-27(17-15-25)24(28)26-22-12-9-13-23(19(22)3)30-21-10-7-6-8-11-21/h6-13,20,29H,4-5,14-18H2,1-3H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Curated by ChEMBL					Assay Description Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...				Bioorg Med Chem Lett 25: 1479-82 (2015) Article DOI: 10.1016/j.bmcl.2015.02.029 BindingDB Entry DOI: 10.7270/Q2D79D3G
					More data for this Ligand-Target Pair