BDBM50045215 CHEMBL2370010::D-Arg-Arg-cyclo[Cys-Pro-Gly-Cys]-Ser-D-Tic-Oic-Arg

SMILES: [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#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=YDWBBKWIJYOUFM-KIEMULABSA-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 = 50045215   

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)	BDBM50045215 (CHEMBL2370010 | D-Arg-Arg-cyclo[Cys-Pro-Gly-Cys]-S...) Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#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/C53H83N19O12S2/c54-32(13-5-17-61-51(55)56)42(75)66-33(14-6-18-62-52(57)58)43(76)69-37-27-86-85-26-36(65-40(74)22-64-45(78)38-16-8-20-70(38)48(37)81)44(77)68-35(25-73)47(80)71-23-29-10-2-1-9-28(29)21-39(71)49(82)72-24-30-11-3-4-12-31(30)41(72)46(79)67-34(50(83)84)15-7-19-63-53(59)60/h1-2,9-10,30-39,41,73H,3-8,11-27,54H2,(H,64,78)(H,65,74)(H,66,75)(H,67,79)(H,68,77)(H,69,76)(H,83,84)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/t30?,31?,32-,33+,34+,35+,36+,37+,38+,39+,41+/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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