Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.4 BDBM50509089

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))	BDBM50509089 (CHEMBL4464286) Show SMILES COc1cc(CNc2cccc(c2)C(N)=N)ccc1OCc1ccccc1 Show InChI InChI=1S/C22H23N3O2/c1-26-21-12-17(14-25-19-9-5-8-18(13-19)22(23)24)10-11-20(21)27-15-16-6-3-2-4-7-16/h2-13,25H,14-15H2,1H3,(H3,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+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