Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50093770'   

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))	BDBM50093770 (4-Aminomethyl-N-[(S)-1-(4-butyl-pyridin-2-yl)-2-cy...) Show SMILES CCCCc1ccnc(c1)[C@H](CC1CCCCC1)NC(=O)c1ccc(CN)cc1 Show InChI InChI=1S/C25H35N3O/c1-2-3-7-20-14-15-27-23(16-20)24(17-19-8-5-4-6-9-19)28-25(29)22-12-10-21(18-26)11-13-22/h10-16,19,24H,2-9,17-18,26H2,1H3,(H,28,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	7.40E+3	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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