Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 639.9 BDBM140528

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))	BDBM140528 (US8912221, 1) Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C28H20ClF6N5O4/c1-12(37-26(42)27(10-43-11-27)39-25(41)14-3-16(28(33,34)35)6-18(30)4-14)23-21(32)5-15(9-36-23)19-7-17(29)8-20(31)22(19)24-38-13(2)44-40-24/h3-9,12H,10-11H2,1-2H3,(H,37,42)(H,39,41)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.60	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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