BDBM50467022 CHEMBL4292022

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

InChI Key: InChIKey=WNQDSLDQTBEEOC-MONBMGCGSA-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 = 50467022   

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))	BDBM50467022 (CHEMBL4292022) Show SMILES CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)OCCO)C(=O)N1c1ccccc1C Show InChI InChI=1S/C23H24N2O4S/c1-3-12-24-23-25(19-7-5-4-6-16(19)2)21(27)20(30-23)15-17-8-10-18(11-9-17)22(28)29-14-13-26/h4-11,15,26H,3,12-14H2,1-2H3/b20-15-,24-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	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