Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.5 BDBM50362358

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))	BDBM50362358 (CHEMBL1939763) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCc2ccccc12 |r,c:12| Show InChI InChI=1S/C22H23N3O4S/c1-15-6-9-17(10-7-15)30(28,29)25-13-12-23-22(27)20(25)14-21(26)24-19-11-8-16-4-2-3-5-18(16)19/h2-7,9-10,12-13,19-20H,8,11,14H2,1H3,(H,23,27)(H,24,26)/t19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94.7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...				Bioorg Med Chem Lett 22: 1061-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.112 BindingDB Entry DOI: 10.7270/Q22J6CB2
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