Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 519.5 BDBM50308991

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))	BDBM50308991 (CHEMBL592238 | N-(1-((1R)-1-(4-(2,5-dimethylpyrrol...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ccc(cc1)C(=O)N1C(C)CCC1C |r| Show InChI InChI=1S/C27H29F4N3O3/c1-15-4-5-16(2)34(15)24(36)19-8-6-18(7-9-19)17(3)32-25(37)26(10-11-26)33-23(35)20-12-21(27(29,30)31)14-22(28)13-20/h6-9,12-17H,4-5,10-11H2,1-3H3,(H,32,37)(H,33,35)/t15?,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
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