BDBM50248366 CHEMBL4072987

SMILES: CCCCCCCCc1ccc(CNCCCC(O)=O)cc1

InChI Key: InChIKey=WVFWUFRQHIHEHH-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 = 50248366   

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 1 (Homo sapiens (Human))	BDBM50248366 (CHEMBL4072987) Show SMILES CCCCCCCCc1ccc(CNCCCC(O)=O)cc1 Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)16-20-15-8-10-19(21)22/h11-14,20H,2-10,15-16H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248366 (CHEMBL4072987) Show SMILES CCCCCCCCc1ccc(CNCCCC(O)=O)cc1 Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)16-20-15-8-10-19(21)22/h11-14,20H,2-10,15-16H2,1H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair