Drug General Information
Drug ID
DX2YXS
Drug Name
D-Arg-[L-NMF7] Bradykinin
Synonyms
CHEMBL2371649
Indication Discovery agent Investigative [1587926]
Formula
C55H77N15O11
Canonical SMILES
CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](N)CCCN=C(N)N
InChI
InChI=1S/C55H77N15O11/c1-68(44(31-36-19-9-4-10-20-36)49(76)66-40(30-35-17-7-3-8-18-35)47(74)65-38(53(80)81)22-12-26-62-55(59)60)51(78)41(33-71)67-46(73)39(29-34-15-5-2-6-16-34)64-45(72)32-63-48(75)42-23-13-27-69(42)52(79)43-24-14-28-70(43)50(77)37(56)21-11-25-61-54(57)58/h2-10,15-20,37-44,71H,11-14,21-33,56H2,1H3,(H,63,75)(H,64,72)(H,65,74)(H,66,76)(H,67,73)(H,80,81)(H4,57,58,61)(H4,59,60,62)/t37-,38+,39+,40+,41+,42+,43+,44+/m1/s1
InChIKey
WBBTXKGNCKTYFN-JMNYKWSOSA-N
Target and Pathway
Target(s) B1 bradykinin receptor Target Info [1587926]
B2 bradykinin receptor Target Info [1587926]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Inflammatory mediator regulation of TRP channels
Regulation of actin cytoskeleton
Pathways in cancerhsa04020:Calcium signaling pathway
cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Endocrine and other factor-regulated calcium reabsorption
Chagas disease (American trypanosomiasis)
Pathways in cancer
NetPath Pathway Leptin Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathwayP00027: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 eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways Complement and Coagulation Cascades
ACE Inhibitor Pathway
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
Vitamin D Receptor Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP554:ACE Inhibitor Pathway
Nifedipine Activity
GPCR downstream signaling
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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