Drug General Information
Drug ID
DXN6AP
Drug Name
D-Arg-[Hyp3, D-NMF7, L-NMF8] Bradykinin
Synonyms
CHEMBL2371658
Indication Discovery agent Investigative [1587926]
Formula
C56H79N15O12
Canonical SMILES
CN([C@H](Cc1ccccc1)C(=O)N(C)[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]4CC(O)CN4C(=O)[C@@H]5CCCN5C(=O)[C@H](N)CCCN=C(N)N
InChI
InChI=1S/C56H79N15O12/c1-68(43(28-35-17-8-4-9-18-35)49(77)66-39(54(82)83)22-13-25-63-56(60)61)52(80)45(29-36-19-10-5-11-20-36)69(2)51(79)41(33-72)67-47(75)40(27-34-15-6-3-7-16-34)65-46(74)31-64-48(76)44-30-37(73)32-71(44)53(81)42-23-14-26-70(42)50(78)38(57)21-12-24-62-55(58)59/h3-11,15-20,37-45,72-73H,12-14,21-33,57H2,1-2H3,(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H,82,83)(H4,58,59,62)(H4,60,61,63)/t37?,38-,39+,40+,41+,42+,43+,44+,45-/m1/s1
InChIKey
UQNOVFWEEACSGU-ZVCMNYORSA-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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