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BDBM50203290 CHEMBL3896632

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2

InChI Key: InChIKey=RTCASVSXCORETB-VSPOGIRPSA-N

Data: 1 EC50

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 = 50203290   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50203290
PNG
(CHEMBL3896632)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 |r|
Show InChI InChI=1S/C32H42N4O6/c1-3-21(2)28(31(40)36-17-14-32(15-18-36)20-25(37)23-11-7-8-12-26(23)41-32)35-29(38)24(19-22-9-5-4-6-10-22)34-30(39)27-13-16-33-42-27/h7-8,11-13,16,21-22,24,28H,3-6,9-10,14-15,17-20H2,1-2H3,(H,34,39)(H,35,38)/t21-,24-,28-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 700n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release incubated for 30 mins measured for 60 secs by Flu...


ACS Med Chem Lett 7: 1179-1184 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00306
BindingDB Entry DOI: 10.7270/Q2PN97MR
More data for this
Ligand-Target Pair