Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.4 BDBM50509090

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50509090 (CHEMBL4584398) Show SMILES CCCCS(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C18H23N3O3S/c1-3-4-11-25(22,23)21-16-10-5-13(2)12-17(16)24-15-8-6-14(7-9-15)18(19)20/h5-10,12,21H,3-4,11H2,1-2H3,(H3,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay				J Med Chem 62: 8631-8641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01003 BindingDB Entry DOI: 10.7270/Q2125WZT
					More data for this Ligand-Target Pair