Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.6 BDBM50420575

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))	BDBM50420575 (CHEMBL2087428) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)C(C)(C)CN(C)C Show InChI InChI=1S/C25H43N3O5S/c1-19-15-22(32-8)16-20(2)24(19)34(30,31)27(7)13-14-33-17-23(29)28-11-9-21(10-12-28)25(3,4)18-26(5)6/h15-16,21H,9-14,17-18H2,1-8H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
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