Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50218386'   

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))	BDBM50218386 (CHEMBL3142416) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)N2C3CCCCC3C[C@H]2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[C@@H](NC(=O)CCc2ccccc2)C(=O)CCNC1=O |r| Show InChI InChI=1S/C41H55N9O6/c42-40(43)46-20-8-14-31-37(53)44-22-19-35(51)30(47-36(52)17-16-26-9-2-1-3-10-26)18-21-45-38(54)33-23-27-11-4-5-13-29(27)25-49(33)39(55)34-24-28-12-6-7-15-32(28)50(34)41(56)48-31/h1-5,9-11,13,28,30-34H,6-8,12,14-25H2,(H,44,53)(H,45,54)(H,47,52)(H,48,56)(H4,42,43,46)/t28?,30-,31+,32?,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells; 0.2-16				Bioorg Med Chem Lett 10: 2421-5 (2001) BindingDB Entry DOI: 10.7270/Q20001BH
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