Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50151887'   

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))	BDBM50151887 (4-(Benzhydryl-amino)-N,N-bis-(3-dimethylamino-prop...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H39N5O4S/c1-31(2)19-11-21-33(22-12-20-32(3)4)39(37,38)26-17-18-27(28(23-26)34(35)36)30-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29-30H,11-12,19-22H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B2 expressed in COS7 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair