Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50156453'   

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))	BDBM50156453 (2-[(R)-1-(3,4-Dichloro-benzenesulfonyl)-3-oxo-1,2,...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)-n2cnnc2)C(=O)Nc2ccccc12 Show InChI InChI=1S/C26H22Cl2N6O4S/c27-20-10-9-19(13-21(20)28)39(37,38)34-23-4-2-1-3-22(23)32-26(36)24(34)14-25(35)29-12-11-17-5-7-18(8-6-17)33-15-30-31-16-33/h1-10,13,15-16,24H,11-12,14H2,(H,29,35)(H,32,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay				Bioorg Med Chem Lett 14: 6045-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.074 BindingDB Entry DOI: 10.7270/Q2V1248Q
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