BDBM10604 (+)-(5R)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benzodioxepin-7-yl N-Ethylcarbamate::(1R)-1-methyl-8,10-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-4-yl N-ethylcarbamate::Benzodioxepine Carbamate 11b

SMILES: CCNC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1

InChI Key: InChIKey=RAANAGIDXYTUAW-PYMCNQPYSA-N

Data: 2 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 2 hits for monomerid = 10604   

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))	BDBM10604 ((+)-(5R)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...) Show SMILES CCNC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1 |r| Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(6-9)14(2)7-12(19-11)17-8-14/h4-6,12H,3,7-8H2,1-2H3,(H,15,16)/t12?,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10604 ((+)-(5R)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...) Show SMILES CCNC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1 |r| Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(6-9)14(2)7-12(19-11)17-8-14/h4-6,12H,3,7-8H2,1-2H3,(H,15,16)/t12?,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	8.0	37
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6
					More data for this Ligand-Target Pair