BDBM50420173 CHEMBL582739::GNF-Pf-590

SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1nc2N=C(CC(c3ccccc3)n2n1)c1ccccc1

InChI Key: InChIKey=XMCYLVYQSUAOIX-UHFFFAOYSA-N

Data: 1 EC50

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 = 50420173   

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))	BDBM50420173 (CHEMBL582739 | GNF-Pf-590) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc2N=C(CC(c3ccccc3)n2n1)c1ccccc1 |c:15| Show InChI InChI=1S/C24H21N5O2S/c1-17-12-14-20(15-13-17)32(30,31)28-23-26-24-25-21(18-8-4-2-5-9-18)16-22(29(24)27-23)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair