BDBM50120513 CHEMBL3618189

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

InChI Key: InChIKey=GINKVFDHXDQKPU-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 = 50120513   

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 (S1P2) (Rattus norvegicus (Rat))	BDBM50120513 (CHEMBL3618189) Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H26F4N2O2/c1-3-13(4-2)12-18(27)5-7-25(8-6-18)17(26)24-16-10-14(19(21,22)23)9-15(20)11-16/h9-11,13,27H,3-8,12H2,1-2H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Curated by ChEMBL					Assay Description Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay				Bioorg Med Chem Lett 25: 4387-92 (2015) BindingDB Entry DOI: 10.7270/Q2SX6G1K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50120513 (CHEMBL3618189) Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H26F4N2O2/c1-3-13(4-2)12-18(27)5-7-25(8-6-18)17(26)24-16-10-14(19(21,22)23)9-15(20)11-16/h9-11,13,27H,3-8,12H2,1-2H3,(H,24,26)	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	1.60E+3	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 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay				Bioorg Med Chem Lett 25: 4387-92 (2015) BindingDB Entry DOI: 10.7270/Q2SX6G1K
					More data for this Ligand-Target Pair