Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.4 BDBM50509093

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))	BDBM50509093 (CHEMBL4444915) Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccsc1 Show InChI InChI=1S/C20H21N3O2S/c1-24-19-10-14(2-7-18(19)25-12-15-8-9-26-13-15)11-23-17-5-3-16(4-6-17)20(21)22/h2-10,13,23H,11-12H2,1H3,(H3,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	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