Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50344106'   

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))	BDBM50344106 (2-(2-methyl-3-oxo-1-tosylpiperazin-2-yl)-N-((R)-6-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1(C)CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C30H40N4O4S/c1-22-9-12-25(13-10-22)39(37,38)34-18-15-31-29(36)30(34,2)20-28(35)32-27-8-6-7-24-19-23(11-14-26(24)27)21-33-16-4-3-5-17-33/h9-14,19,27H,3-8,15-18,20-21H2,1-2H3,(H,31,36)(H,32,35)/t27-,30?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	718	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B1 receptor				Bioorg Med Chem Lett 21: 3384-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.115 BindingDB Entry DOI: 10.7270/Q2FX79R6
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