Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 413.4 BDBM50243116

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50243116 (CHEMBL488626 | N-{4-[({2-[(6-Fluoropyridin-3-yl)ca...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)nc1 Show InChI InChI=1S/C20H16FN3O4S/c1-13(25)23-15-7-9-16(10-8-15)29(27,28)24-18-5-3-2-4-17(18)20(26)14-6-11-19(21)22-12-14/h2-12,24H,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor				J Med Chem 51: 3946-52 (2008) Article DOI: 10.1021/jm800199h BindingDB Entry DOI: 10.7270/Q2JH3N33
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