BDBM50386426 CHEMBL2047531

SMILES: CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1

InChI Key: InChIKey=ZFRILRHOSKWEAM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50386426   

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
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50386426 (CHEMBL2047531) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...				ACS Med Chem Lett 3: 182-186 (2012) Article DOI: 10.1021/ml200313p BindingDB Entry DOI: 10.7270/Q29W0GJB
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50386426 (CHEMBL2047531) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant FAAH in assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measured...				ACS Med Chem Lett 3: 182-186 (2012) Article DOI: 10.1021/ml200313p BindingDB Entry DOI: 10.7270/Q29W0GJB
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50386426 (CHEMBL2047531) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins				ACS Med Chem Lett 3: 182-186 (2012) Article DOI: 10.1021/ml200313p BindingDB Entry DOI: 10.7270/Q29W0GJB
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50386426 (CHEMBL2047531) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins before substrate addition by Ellman's method				ACS Med Chem Lett 3: 182-186 (2012) Article DOI: 10.1021/ml200313p BindingDB Entry DOI: 10.7270/Q29W0GJB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50386426 (CHEMBL2047531) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 120 mins before substrate addition by Ellman's meth...				ACS Med Chem Lett 3: 182-186 (2012) Article DOI: 10.1021/ml200313p BindingDB Entry DOI: 10.7270/Q29W0GJB
					More data for this Ligand-Target Pair