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BDBM50109092 (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-(3-biphenyl-3-yl-isoxazol-5-yl)-amine::CHEMBL111653

SMILES: C(CN(Cc1ccc2OCOc2c1)c1cc(no1)-c1cccc(c1)-c1ccccc1)CN1CCCCCC1

InChI Key: InChIKey=VSRBYCWNYRELSW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50109092   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50109092
PNG
((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES C(CN(Cc1ccc2OCOc2c1)c1cc(no1)-c1cccc(c1)-c1ccccc1)CN1CCCCCC1
Show InChI InChI=1S/C32H35N3O3/c1-2-7-17-34(16-6-1)18-9-19-35(23-25-14-15-30-31(20-25)37-24-36-30)32-22-29(33-38-32)28-13-8-12-27(21-28)26-10-4-3-5-11-26/h3-5,8,10-15,20-22H,1-2,6-7,9,16-19,23-24H2
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Similars

Article
PubMed
n/an/a 6.42E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity against thrombin receptor, inhibition of secreted radiolabeled [3H]-5-HT from washed human platelets stimulated by 3 microM thr...


Bioorg Med Chem Lett 12: 319-23 (2002)


Article DOI: 10.1016/s0960-894x(01)00745-4
BindingDB Entry DOI: 10.7270/Q29S1QBW
More data for this
Ligand-Target Pair