BDBM167912 N,N-diethylcarbamic acid-4-(5-hydroxy-6,7-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7j)

SMILES: CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1

InChI Key: InChIKey=BCPMGKFDBYFFIG-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 167912   

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 (Rattus norvegicus (rat))	BDBM167912 (N,N-diethylcarbamic acid-4-(5-hydroxy-6,7-dimethox...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C22H23NO7/c1-5-23(6-2)22(26)29-14-9-7-13(8-10-14)16-11-15(24)19-17(30-16)12-18(27-3)21(28-4)20(19)25/h7-12,25H,5-6H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description For rat AChE or BuChE inhibition assays, a reaction mixture (100 μL) containing acetylthiocholine iodide (1 mmol/L, 30 μL) (J&K Scientific)...				Chem Biol Drug Des 86: 1168-77 (2015) Article DOI: 10.1111/cbdd.12580 BindingDB Entry DOI: 10.7270/Q2VM4B1P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167912 (N,N-diethylcarbamic acid-4-(5-hydroxy-6,7-dimethox...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C22H23NO7/c1-5-23(6-2)22(26)29-14-9-7-13(8-10-14)16-11-15(24)19-17(30-16)12-18(27-3)21(28-4)20(19)25/h7-12,25H,5-6H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman method				Bioorg Med Chem 23: 668-80 (2015) Article DOI: 10.1016/j.bmc.2015.01.005 BindingDB Entry DOI: 10.7270/Q24T6M2R
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167912 (N,N-diethylcarbamic acid-4-(5-hydroxy-6,7-dimethox...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C22H23NO7/c1-5-23(6-2)22(26)29-14-9-7-13(8-10-14)16-11-15(24)19-17(30-16)12-18(27-3)21(28-4)20(19)25/h7-12,25H,5-6H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description For rat AChE or BuChE inhibition assays, a reaction mixture (100 μL) containing acetylthiocholine iodide (1 mmol/L, 30 μL) (J&K Scientific)...				Chem Biol Drug Des 86: 1168-77 (2015) Article DOI: 10.1111/cbdd.12580 BindingDB Entry DOI: 10.7270/Q2VM4B1P
					More data for this Ligand-Target Pair