BDBM50109069 (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-[3-(3,5-difluoro-phenyl)-isoxazol-5-yl]-amine::CHEMBL107920

SMILES: Fc1cc(F)cc(c1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1

InChI Key: InChIKey=HCNUDUBKUTYRBU-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50109069   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50109069 ((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...) Show SMILES Fc1cc(F)cc(c1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C26H29F2N3O3/c27-21-13-20(14-22(28)15-21)23-16-26(34-29-23)31(11-5-10-30-8-3-1-2-4-9-30)17-19-6-7-24-25(12-19)33-18-32-24/h6-7,12-16H,1-5,8-11,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for thrombin catalytic activity; no inhibition was observed				Bioorg Med Chem Lett 12: 319-23 (2002) BindingDB Entry DOI: 10.7270/Q29S1QBW
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50109069 ((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...) Show SMILES Fc1cc(F)cc(c1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C26H29F2N3O3/c27-21-13-20(14-22(28)15-21)23-16-26(34-29-23)31(11-5-10-30-8-3-1-2-4-9-30)17-19-6-7-24-25(12-19)33-18-32-24/h6-7,12-16H,1-5,8-11,17-18H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q29S1QBW
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50109069 ((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...) Show SMILES Fc1cc(F)cc(c1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C26H29F2N3O3/c27-21-13-20(14-22(28)15-21)23-16-26(34-29-23)31(11-5-10-30-8-3-1-2-4-9-30)17-19-6-7-24-25(12-19)33-18-32-24/h6-7,12-16H,1-5,8-11,17-18H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q29S1QBW
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50109069 ((3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl...) Show SMILES Fc1cc(F)cc(c1)-c1cc(on1)N(CCCN1CCCCCC1)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C26H29F2N3O3/c27-21-13-20(14-22(28)15-21)23-16-26(34-29-23)31(11-5-10-30-8-3-1-2-4-9-30)17-19-6-7-24-25(12-19)33-18-32-24/h6-7,12-16H,1-5,8-11,17-18H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q29S1QBW
					More data for this Ligand-Target Pair