Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.8 BDBM50309014

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))	BDBM50309014 (CHEMBL597546 | N-(2-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES CC(=O)Nn1ccnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C21H17ClF2N6O2/c1-11(31)28-30-6-5-25-21(30)26-10-14-4-3-13(7-17(14)23)16-8-15(22)9-18(24)19(16)20-27-12(2)32-29-20/h3-9H,10H2,1-2H3,(H,25,26)(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair