Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50344104'   

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))	BDBM50344104 (2-(5,5-dimethyl-3-oxo-1-tosylpiperazin-2-yl)-N-((R...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC(C)(C)NC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C31H42N4O4S/c1-22-10-13-25(14-11-22)40(38,39)35-21-31(2,3)33-30(37)28(35)19-29(36)32-27-9-7-8-24-18-23(12-15-26(24)27)20-34-16-5-4-6-17-34/h10-15,18,27-28H,4-9,16-17,19-21H2,1-3H3,(H,32,36)(H,33,37)/t27-,28?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17.6	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
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50344104 (2-(5,5-dimethyl-3-oxo-1-tosylpiperazin-2-yl)-N-((R...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC(C)(C)NC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C31H42N4O4S/c1-22-10-13-25(14-11-22)40(38,39)35-21-31(2,3)33-30(37)28(35)19-29(36)32-27-9-7-8-24-18-23(12-15-26(24)27)20-34-16-5-4-6-17-34/h10-15,18,27-28H,4-9,16-17,19-21H2,1-3H3,(H,32,36)(H,33,37)/t27-,28?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	136	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 cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...				Bioorg Med Chem Lett 21: 3384-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.115 BindingDB Entry DOI: 10.7270/Q2FX79R6
					More data for this Ligand-Target Pair