BDBM50467021 CHEMBL4284144

SMILES: CCC\N=C1/S\C(=C/c2ccc(cc2)C(O)=O)C(=O)N1c1ccccc1C

InChI Key: InChIKey=LXNIUEMUEWFLDR-WJACMBERSA-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 = 50467021   

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))	BDBM50467021 (CHEMBL4284144) Show SMILES CCC\N=C1/S\C(=C/c2ccc(cc2)C(O)=O)C(=O)N1c1ccccc1C Show InChI InChI=1S/C21H20N2O3S/c1-3-12-22-21-23(17-7-5-4-6-14(17)2)19(24)18(27-21)13-15-8-10-16(11-9-15)20(25)26/h4-11,13H,3,12H2,1-2H3,(H,25,26)/b18-13-,22-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay				Bioorg Med Chem Lett 28: 3255-3259 (2018) Article DOI: 10.1016/j.bmcl.2018.07.044 BindingDB Entry DOI: 10.7270/Q2BG2RPC
					More data for this Ligand-Target Pair