BDBM50189320 CHEMBL3827610

SMILES: CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1

InChI Key: InChIKey=XFLYZTYNYBFURZ-UHFFFAOYSA-N

Data: 4 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 = 50189320   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189320 (CHEMBL3827610) Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1 Show InChI InChI=1S/C34H46N2O5/c1-3-4-5-6-10-20-35-34(38)40-28-15-13-14-26(23-28)25-36(2)21-11-7-12-22-39-27-18-19-30-29-16-8-9-17-31(29)33(37)41-32(30)24-27/h13-15,18-19,23-24H,3-12,16-17,20-22,25H2,1-2H3,(H,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum University of Bologna Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...				J Med Chem 59: 6387-406 (2016) BindingDB Entry DOI: 10.7270/Q21G0P6Q
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50189320 (CHEMBL3827610) Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1 Show InChI InChI=1S/C34H46N2O5/c1-3-4-5-6-10-20-35-34(38)40-28-15-13-14-26(23-28)25-36(2)21-11-7-12-22-39-27-18-19-30-29-16-8-9-17-31(29)33(37)41-32(30)24-27/h13-15,18-19,23-24H,3-12,16-17,20-22,25H2,1-2H3,(H,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum University of Bologna Curated by ChEMBL					Assay Description Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...				J Med Chem 59: 6387-406 (2016) BindingDB Entry DOI: 10.7270/Q21G0P6Q
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50189320 (CHEMBL3827610) Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1 Show InChI InChI=1S/C34H46N2O5/c1-3-4-5-6-10-20-35-34(38)40-28-15-13-14-26(23-28)25-36(2)21-11-7-12-22-39-27-18-19-30-29-16-8-9-17-31(29)33(37)41-32(30)24-27/h13-15,18-19,23-24H,3-12,16-17,20-22,25H2,1-2H3,(H,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	767	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum University of Bologna Curated by ChEMBL					Assay Description Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method				J Med Chem 59: 6387-406 (2016) BindingDB Entry DOI: 10.7270/Q21G0P6Q
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50189320 (CHEMBL3827610) Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1 Show InChI InChI=1S/C34H46N2O5/c1-3-4-5-6-10-20-35-34(38)40-28-15-13-14-26(23-28)25-36(2)21-11-7-12-22-39-27-18-19-30-29-16-8-9-17-31(29)33(37)41-32(30)24-27/h13-15,18-19,23-24H,3-12,16-17,20-22,25H2,1-2H3,(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...				J Med Chem 59: 6387-406 (2016) BindingDB Entry DOI: 10.7270/Q21G0P6Q
					More data for this Ligand-Target Pair