Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50381277'   

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))	BDBM50381277 (CHEMBL2018863) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)N[C@H]2CC[C@H](CCC3=NCCN3)CC2)CCc2ccccc12 |r,wU:17.17,wD:20.21,t:24,(-10.44,-4.97,;-9.11,-4.2,;-7.77,-4.96,;-6.44,-4.19,;-6.45,-2.65,;-7.79,-1.88,;-9.12,-2.66,;-10.45,-1.89,;-5.12,-1.88,;-3.64,-1.47,;-4.04,-2.97,;-5.13,-.34,;-3.79,.44,;-2.45,-.33,;-1.12,.44,;-1.13,1.98,;.21,-.32,;1.55,.45,;1.53,1.99,;2.87,2.76,;4.2,1.99,;5.54,2.76,;6.87,1.98,;8.1,2.92,;8.07,4.47,;9.52,4.97,;10.45,3.75,;9.57,2.48,;4.2,.45,;2.87,-.32,;-3.8,1.98,;-5.14,2.75,;-6.47,1.97,;-7.8,2.73,;-9.13,1.96,;-9.13,.42,;-7.8,-.35,;-6.46,.42,)| Show InChI InChI=1S/C28H34Cl2N4O3S/c29-24-13-12-23(18-25(24)30)38(36,37)34-22(11-8-20-3-1-2-4-26(20)34)17-28(35)33-21-9-5-19(6-10-21)7-14-27-31-15-16-32-27/h1-4,12-13,18-19,21-22H,5-11,14-17H2,(H,31,32)(H,33,35)/t19-,21-,22?	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc. Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor				Bioorg Med Chem Lett 22: 3095-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.065 BindingDB Entry DOI: 10.7270/Q21Z45F0
					More data for this Ligand-Target Pair