Drug Information

Drug General Information
Drug ID
D0X0BI
Former ID
DNC004606
Drug Name
BRADYKININ
Drug Type
Small molecular drug
Indication Discovery agent Phase 1 [522617], [541624]
Structure
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2D MOL

3D MOL
Formula
C50H73N15O11
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
InChIKey
QXZGBUJJYSLZLT-FDISYFBBSA-N
PubChem Compound ID
439201
PubChem Substance ID
3600, 841468, 3139670, 7978810, 15090019, 36883455, 50112435, 50849217, 53789586, 91689969, 93581329, 103279772, 103980149, 104619886, 126525053, 134341811, 135651637, 137019791, 137255716, 137275542, 162220561, 164779222, 184605781, 198973777, 224949119, 229099223, 241108945, 241376207, 247680280, 249727084, 252156939
Target and Pathway
Target(s) B2 bradykinin receptor Target Info Inhibitor [525817]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Inflammatory mediator regulation of TRP channels
Regulation of actin cytoskeleton
Endocrine and other factor-regulated calcium reabsorption
Chagas disease (American trypanosomiasis)
Pathways in cancer
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Pathway Interaction Database Direct p53 effectors
Validated transcriptional targets of deltaNp63 isoforms
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
G alpha (i) signalling events
WikiPathways ACE Inhibitor Pathway
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Nifedipine Activity
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 522617ClinicalTrials.gov (NCT00868855) Tissue-Type Plasminogen Activator (t-PA) Release Predicts Major Adverse Cardiac Events (MACE) in Patients With Non-Critical Coronary Artery Disease. U.S. National Institutes of Health.
Ref 541624(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 649).
Ref 525817J Med Chem. 2000 Jun 15;43(12):2382-6.Synthesis and biological evaluation of bradykinin B(1)/B(2) and selective B(1) receptor antagonists.

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