BDBM50467024 CHEMBL4280697

SMILES: CCC\N=C1/S\C(=C/c2ccc(C(=O)OC)c(Cl)c2)C(=O)N1c1ccccc1C

InChI Key: InChIKey=HSBGPNRFYSJAEP-ZZSQQICMSA-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 = 50467024   

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))	BDBM50467024 (CHEMBL4280697) Show SMILES CCC\N=C1/S\C(=C/c2ccc(C(=O)OC)c(Cl)c2)C(=O)N1c1ccccc1C Show InChI InChI=1S/C22H21ClN2O3S/c1-4-11-24-22-25(18-8-6-5-7-14(18)2)20(26)19(29-22)13-15-9-10-16(17(23)12-15)21(27)28-3/h5-10,12-13H,4,11H2,1-3H3/b19-13-,24-22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	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