BDBM50214791 CHEMBL3142597

SMILES: [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6@@H]-1-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=PIJUJOFLDOZEOK-WHGAKNBVSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214791   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bradykinin B2 receptor (Homo sapiens (Human))	BDBM50214791 (CHEMBL3142597) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6@@H]-1-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C53H90N16O9/c54-37(21-15-28-62-51(55)56)45(72)66-38(22-16-29-63-52(57)58)46(73)61-27-14-8-6-4-2-1-3-5-7-9-25-43(71)65-40(33-70)48(75)68-31-26-34-18-10-12-20-36(34)44(68)49(76)69-41-24-13-11-19-35(41)32-42(69)47(74)67-39(50(77)78)23-17-30-64-53(59)60/h10,12,18,20,35,37-42,44,70H,1-9,11,13-17,19,21-33,54H2,(H,61,73)(H,65,71)(H,66,72)(H,67,74)(H,77,78)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)/t35?,37-,38-,39-,40-,41?,42-,44+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against [3H]-BK in membrane preparations from a stable cell line that expresses the human B2 receptor				Bioorg Med Chem Lett 7: 2661-2664 (1997) Article DOI: 10.1016/S0960-894X(97)10042-7 BindingDB Entry DOI: 10.7270/Q2BC3ZJD
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