BDBM50065604 CHEMBL3401377

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

InChI Key: InChIKey=CAQJBFDNASWNMC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50065604   

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))	BDBM50065604 (CHEMBL3401377) Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Cl)cc(Oc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H30ClFN2O3/c1-3-17(4-2)16-24(30)9-11-28(12-10-24)23(29)27-20-13-18(25)14-22(15-20)31-21-7-5-19(26)6-8-21/h5-8,13-15,17,30H,3-4,9-12,16H2,1-2H3,(H,27,29)	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	860	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis				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
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50065604 (CHEMBL3401377) Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Cl)cc(Oc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H30ClFN2O3/c1-3-17(4-2)16-24(30)9-11-28(12-10-24)23(29)27-20-13-18(25)14-22(15-20)31-21-7-5-19(26)6-8-21/h5-8,13-15,17,30H,3-4,9-12,16H2,1-2H3,(H,27,29)	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	860	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