BDBM50109063 (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-(3-p-tolyl-isoxazol-5-yl)-amine::CHEMBL111258

SMILES Cc1ccc(cc1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1

InChI Key InChIKey=CDYMXRUWHVBUKR-UHFFFAOYSA-N

Data  3 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50109063   

TargetProteinase-activated receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109063((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES Cc1ccc(cc1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C27H33N3O3/c1-21-7-10-23(11-8-21)24-18-27(33-28-24)30(16-6-15-29-13-4-2-3-5-14-29)19-22-9-12-25-26(17-22)32-20-31-25/h7-12,17-18H,2-6,13-16,19-20H2,1H3
Affinity DataIC50: 140nMAssay Description:Antagonistic activity against thrombin receptor, inhibition of secreted radiolabeled [3H]-5-HT from washed human platelets stimulated by 3 microM thr...More data for this Ligand-Target Pair
TargetProteinase-activated receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109063((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES Cc1ccc(cc1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C27H33N3O3/c1-21-7-10-23(11-8-21)24-18-27(33-28-24)30(16-6-15-29-13-4-2-3-5-14-29)19-22-9-12-25-26(17-22)32-20-31-25/h7-12,17-18H,2-6,13-16,19-20H2,1H3
Affinity DataIC50: 290nMAssay Description:Inhibition of secretion of radiolabeled serotonin from washed human platelets stimulated by 1 nM thrombinMore data for this Ligand-Target Pair
TargetProteinase-activated receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109063((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES Cc1ccc(cc1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C27H33N3O3/c1-21-7-10-23(11-8-21)24-18-27(33-28-24)30(16-6-15-29-13-4-2-3-5-14-29)19-22-9-12-25-26(17-22)32-20-31-25/h7-12,17-18H,2-6,13-16,19-20H2,1H3
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of secretion of radiolabeled serotonin from washed human platelets stimulated by 1 nM thrombinMore data for this Ligand-Target Pair