BDBM50045213 CHEMBL2370042::D-Arg-Arg-Pro-Hyp-N-methylGly-Phe-Ser-D-Tic-Oic-Arg

SMILES: [#6]-[#7](-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#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)-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@H](-[#8])-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]

InChI Key: InChIKey=JXFXLLSQVFLHAA-GUZVSVHWSA-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 = 50045213   

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)	BDBM50045213 (CHEMBL2370042 | D-Arg-Arg-Pro-Hyp-N-methylGly-Phe-...) Show SMILES [#6]-[#7](-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#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)-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@H](-[#8])-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C62H93N19O13/c1-77(50(84)31-73-52(86)47-30-39(83)33-80(47)57(91)45-22-12-26-78(45)55(89)41(19-10-24-71-61(66)67)74-51(85)40(63)18-9-23-70-60(64)65)46(27-35-13-3-2-4-14-35)53(87)76-43(34-82)56(90)79-32-38-17-6-5-15-36(38)28-49(79)58(92)81-44-21-8-7-16-37(44)29-48(81)54(88)75-42(59(93)94)20-11-25-72-62(68)69/h2-6,13-15,17,37,39-49,82-83H,7-12,16,18-34,63H2,1H3,(H,73,86)(H,74,85)(H,75,88)(H,76,87)(H,93,94)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t37?,39-,40+,41-,42-,43-,44?,45-,46-,47-,48-,49+/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova Inc. Curated by ChEMBL					Assay Description Binding affinity against [3H]-bradykinin binding to bradykinin receptor B2 in guinea pig ileal membrane				J Med Chem 36: 2569-71 (1993) BindingDB Entry DOI: 10.7270/Q25D8QX4
					More data for this Ligand-Target Pair