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BDBM50109082 (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-[3-(4-chloro-phenyl)-isoxazol-5-yl]-amine::CHEMBL326456

SMILES: Clc1ccc(cc1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1

InChI Key: InChIKey=BGBCDCFUTSISNI-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50109082   
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 1


(Homo sapiens (Human))
BDBM50109082
PNG
((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES Clc1ccc(cc1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C26H30ClN3O3/c27-22-9-7-21(8-10-22)23-17-26(33-28-23)30(15-5-14-29-12-3-1-2-4-13-29)18-20-6-11-24-25(16-20)32-19-31-24/h6-11,16-17H,1-5,12-15,18-19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.25E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of secretion of radiolabeled serotonin from washed human platelets stimulated by 1 nM thrombin


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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50109082
PNG
((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES Clc1ccc(cc1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C26H30ClN3O3/c27-22-9-7-21(8-10-22)23-17-26(33-28-23)30(15-5-14-29-12-3-1-2-4-13-29)18-20-6-11-24-25(16-20)32-19-31-24/h6-11,16-17H,1-5,12-15,18-19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.24E+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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50109082
PNG
((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES Clc1ccc(cc1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C26H30ClN3O3/c27-22-9-7-21(8-10-22)23-17-26(33-28-23)30(15-5-14-29-12-3-1-2-4-13-29)18-20-6-11-24-25(16-20)32-19-31-24/h6-11,16-17H,1-5,12-15,18-19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-SFFLRR-NH2 from human thrombin receptor PAR-1


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