Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50093773'   

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))	BDBM50093773 (3-(2-Amino-ethyl)-1-(3-amino-propyl)-7-dibenzylami...) Show SMILES NCCCN1c2ccc(cc2C(=NC(CCN)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |c:12| Show InChI InChI=1S/C34H37N5O/c35-20-10-22-39-32-18-17-29(38(24-26-11-4-1-5-12-26)25-27-13-6-2-7-14-27)23-30(32)33(28-15-8-3-9-16-28)37-31(19-21-36)34(39)40/h1-9,11-18,23,31H,10,19-22,24-25,35-36H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.50E+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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