Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50362330'   

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))	BDBM50362330 (CHEMBL1939938) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCN(CC1(C)C)C1CCC1 |r,c:12| Show InChI InChI=1S/C24H34N4O4S/c1-17-7-9-19(10-8-17)33(31,32)28-14-12-25-23(30)20(28)15-22(29)26-21-11-13-27(16-24(21,2)3)18-5-4-6-18/h7-10,12,14,18,20-21H,4-6,11,13,15-16H2,1-3H3,(H,25,30)(H,26,29)/t20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.740	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 expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...				Bioorg Med Chem Lett 22: 1061-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.112 BindingDB Entry DOI: 10.7270/Q22J6CB2
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