Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 557.9 BDBM140554

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))	BDBM140554 (US8912221, 27) Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cn(C)cn1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C25H22ClF2N7O4/c1-12(31-24(37)25(9-38-10-25)33-23(36)19-8-35(3)11-30-19)21-18(28)4-14(7-29-21)16-5-15(26)6-17(27)20(16)22-32-13(2)39-34-22/h4-8,11-12H,9-10H2,1-3H3,(H,31,37)(H,33,36)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	82.6	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...				US Patent US8912221 (2014) BindingDB Entry DOI: 10.7270/Q2668BWC
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