BDBM50214793 CHEMBL3142595

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](=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=WCYLLYUFSJWVEO-LJWGEHNSSA-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 = 50214793   

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 (Cavia porcellus)	BDBM50214793 (CHEMBL3142595) 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](=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/C52H88N16O9/c53-36(20-14-27-61-50(54)55)44(71)65-37(21-15-28-62-51(56)57)45(72)60-26-13-7-5-3-1-2-4-6-8-24-42(70)64-39(32-69)47(74)67-30-25-33-17-9-11-19-35(33)43(67)48(75)68-40-23-12-10-18-34(40)31-41(68)46(73)66-38(49(76)77)22-16-29-63-52(58)59/h9,11,17,19,34,36-41,43,69H,1-8,10,12-16,18,20-32,53H2,(H,60,72)(H,64,70)(H,65,71)(H,66,73)(H,76,77)(H4,54,55,61)(H4,56,57,62)(H4,58,59,63)/t34?,36-,37+,38+,39+,40?,41+,43-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	360	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 the classical guinea pig ileum B2 binding assay				Bioorg Med Chem Lett 7: 2661-2664 (1997) Article DOI: 10.1016/S0960-894X(97)10042-7 BindingDB Entry DOI: 10.7270/Q2BC3ZJD
					More data for this Ligand-Target Pair