BDBM50149574 CHEMBL3770596

SMILES: CC(C)Oc1ccc(cc1Cl)-c1nnc(NCCN)s1

InChI Key: InChIKey=JDRTYZRYNVUWQZ-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 = 50149574   

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))	BDBM50149574 (CHEMBL3770596) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(NCCN)s1 Show InChI InChI=1S/C13H17ClN4OS/c1-8(2)19-11-4-3-9(7-10(11)14)12-17-18-13(20-12)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay				J Med Chem 59: 1003-20 (2016) BindingDB Entry DOI: 10.7270/Q2KP842C
					More data for this Ligand-Target Pair