BDBM167905 N,N-bis(1-methylethyl)carbamic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7c)

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

InChI Key: InChIKey=CDUHALQCNNXEAK-UHFFFAOYSA-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 = 167905   

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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167905 (N,N-bis(1-methylethyl)carbamic acid-4-(5,6,7-trihy...) Show SMILES CC(C)N(C(C)C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C22H23NO7/c1-11(2)23(12(3)4)22(28)29-14-7-5-13(6-8-14)17-9-15(24)19-18(30-17)10-16(25)20(26)21(19)27/h5-12,25-27H,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167905 (N,N-bis(1-methylethyl)carbamic acid-4-(5,6,7-trihy...) Show SMILES CC(C)N(C(C)C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C22H23NO7/c1-11(2)23(12(3)4)22(28)29-14-7-5-13(6-8-14)17-9-15(24)19-18(30-17)10-16(25)20(26)21(19)27/h5-12,25-27H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	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