Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.4 BDBM50497458

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

Found 3 hits 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))	BDBM50497458 (CHEMBL3343994) Show SMILES N[C@H](Cc1ccc(NC(N)=N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C19H24N6O2/c20-15(10-13-6-8-14(9-7-13)24-19(22)23)18(27)25-16(17(21)26)11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,20H2,(H2,21,26)(H,25,27)(H4,22,23,24)/t15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay				Bioorg Med Chem 22: 5831-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.025 BindingDB Entry DOI: 10.7270/Q27P92CV
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Rattus norvegicus)	BDBM50497458 (CHEMBL3343994) Show SMILES N[C@H](Cc1ccc(NC(N)=N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C19H24N6O2/c20-15(10-13-6-8-14(9-7-13)24-19(22)23)18(27)25-16(17(21)26)11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,20H2,(H2,21,26)(H,25,27)(H4,22,23,24)/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Agonist activity at rat MrgX1 transfected in HEK293 cells by FLIPR assay				Bioorg Med Chem 22: 5831-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.025 BindingDB Entry DOI: 10.7270/Q27P92CV
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Mus musculus)	BDBM50497458 (CHEMBL3343994) Show SMILES N[C@H](Cc1ccc(NC(N)=N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C19H24N6O2/c20-15(10-13-6-8-14(9-7-13)24-19(22)23)18(27)25-16(17(21)26)11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,20H2,(H2,21,26)(H,25,27)(H4,22,23,24)/t15-,16+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Agonist activity at mouse MrgC11 transfected in HEK293 cells by FLIPR assay				Bioorg Med Chem 22: 5831-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.025 BindingDB Entry DOI: 10.7270/Q27P92CV
					More data for this Ligand-Target Pair