BDBM50386420 CHEMBL2047530

SMILES: CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1

InChI Key: InChIKey=UAAXSLDYQFFMML-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 = 50386420   

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
Cholinesterases (Homo sapiens (Human))	BDBM50386420 (CHEMBL2047530) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)	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	1.71	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
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50386420 (CHEMBL2047530) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 (aa 30-579) (Rattus norvegicus (rat))	BDBM50386420 (CHEMBL2047530) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50386420 (CHEMBL2047530) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)	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	89.5	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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50386420 (CHEMBL2047530) Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	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