Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50093760'   

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
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50093760 (4-Aminomethyl-N-(3-amino-propyl)-N-(2,2-dibutyl-be...) Show SMILES CCCCC1(CCCC)Oc2cccc(N(CCCN)C(=O)c3ccc(CN)cc3)c2O1 Show InChI InChI=1S/C26H37N3O3/c1-3-5-15-26(16-6-4-2)31-23-10-7-9-22(24(23)32-26)29(18-8-17-27)25(30)21-13-11-20(19-28)12-14-21/h7,9-14H,3-6,8,15-19,27-28H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells				Bioorg Med Chem Lett 10: 2421-5 (2001) BindingDB Entry DOI: 10.7270/Q20001BH
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