BRADYKININ

Search structure
Synonyms:
Status: Approved
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: S8TIM42R2W

Structure
InChI Key QXZGBUJJYSLZLT-FDISYFBBSA-N
Smile N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
InChI
InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C50H73N15O11
Molecular Weight 1060.23
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Bradykinin receptor
0 2 - 0-1 4

Indications

Mesh Heading Maximum Phase Reference
Hyperlipidemias; Hyperlipoproteinemias Phase 2 ClinicalTrials
Coronary Artery Disease; Coronary Disease; Myocardial Ischemia Phase 1 ClinicalTrials
Hypertension Phase 4 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 58-82-2
ChEBI 3165
ChEMBL CHEMBL406291
DrugBank DB12126
EPA CompTox DTXSID50893681
FDA SRS S8TIM42R2W
Human Metabolome Database HMDB0004246
Guide to Pharmacology 649
KEGG C00306
PubChem 439201
SureChEMBL SCHEMBL3047797
CONTENTS