Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'qiang' and Initial = 'xm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167911 (N,N-diethylcarbamic acid-4-(5,6,7-trimethoxy-4-oxo...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C23H25NO7/c1-6-24(7-2)23(26)30-15-10-8-14(9-11-15)17-12-16(25)20-18(31-17)13-19(27-3)21(28-4)22(20)29-5/h8-13H,6-7H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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					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))	BDBM167904 (N,N-diethylcarbamic acid-4-(5,6,7-trihydroxy-4-oxo...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C20H19NO7/c1-3-21(4-2)20(26)27-12-7-5-11(6-8-12)15-9-13(22)17-16(28-15)10-14(23)18(24)19(17)25/h5-10,23-25H,3-4H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167913 (N,N-diethylcarbamic acid-4-[5,6,7-tris(acetyloxy)-...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC(C)=O)c(OC(C)=O)c(OC(C)=O)cc2o1 Show InChI InChI=1S/C26H25NO10/c1-6-27(7-2)26(32)36-18-10-8-17(9-11-18)20-12-19(31)23-21(37-20)13-22(33-14(3)28)24(34-15(4)29)25(23)35-16(5)30/h8-13H,6-7H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167914 (N,N-diethylcarbamic acid-4-[6,7-bis(acetyloxy)-5-h...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(OC(C)=O)c(OC(C)=O)cc2o1 Show InChI InChI=1S/C24H23NO9/c1-5-25(6-2)24(30)33-16-9-7-15(8-10-16)18-11-17(28)21-19(34-18)12-20(31-13(3)26)23(22(21)29)32-14(4)27/h7-12,29H,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	2.00E+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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167906 (N-ethyl-N-methylcarbamic acid-4-(5,6,7-trihydroxy-...) Show SMILES CCN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C19H17NO7/c1-3-20(2)19(25)26-11-6-4-10(5-7-11)14-8-12(21)16-15(27-14)9-13(22)17(23)18(16)24/h4-9,22-24H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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
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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167903 (N,N-dimethylcarbamic acid-4-(5,6,7-trihydroxy-4-ox...) Show SMILES CN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C18H15NO7/c1-19(2)18(24)25-10-5-3-9(4-6-10)13-7-11(20)15-14(26-13)8-12(21)16(22)17(15)23/h3-8,21-23H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167911 (N,N-diethylcarbamic acid-4-(5,6,7-trimethoxy-4-oxo...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C23H25NO7/c1-6-24(7-2)23(26)30-15-10-8-14(9-11-15)17-12-16(25)20-18(31-17)13-19(27-3)21(28-4)22(20)29-5/h8-13H,6-7H2,1-5H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167909 (1-Piperidinecarboxylic acid-4-(5,6,7-trihydroxy-4-...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C21H19NO7/c23-14-10-16(29-17-11-15(24)19(25)20(26)18(14)17)12-4-6-13(7-5-12)28-21(27)22-8-2-1-3-9-22/h4-7,10-11,24-26H,1-3,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167904 (N,N-diethylcarbamic acid-4-(5,6,7-trihydroxy-4-oxo...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C20H19NO7/c1-3-21(4-2)20(26)27-12-7-5-11(6-8-12)15-9-13(22)17-16(28-15)10-14(23)18(24)19(17)25/h5-10,23-25H,3-4H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+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
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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM167908 (4-Morpholinecarboxylic acid-4-(5,6,7-trihydroxy-4-...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C20H17NO8/c22-13-9-15(29-16-10-14(23)18(24)19(25)17(13)16)11-1-3-12(4-2-11)28-20(26)21-5-7-27-8-6-21/h1-4,9-10,23-25H,5-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167906 (N-ethyl-N-methylcarbamic acid-4-(5,6,7-trihydroxy-...) Show SMILES CCN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C19H17NO7/c1-3-20(2)19(25)26-11-6-4-10(5-7-11)14-8-12(21)16-15(27-14)9-13(22)17(23)18(16)24/h4-9,22-24H,3H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167903 (N,N-dimethylcarbamic acid-4-(5,6,7-trihydroxy-4-ox...) Show SMILES CN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C18H15NO7/c1-19(2)18(24)25-10-5-3-9(4-6-10)13-7-11(20)15-14(26-13)8-12(21)16(22)17(15)23/h3-8,21-23H,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167910 (4-(Phenylmethyl)-1-piperidinecarboxylic acid-4-(5,...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H25NO7/c30-21-15-23(36-24-16-22(31)26(32)27(33)25(21)24)19-6-8-20(9-7-19)35-28(34)29-12-10-18(11-13-29)14-17-4-2-1-3-5-17/h1-9,15-16,18,31-33H,10-14H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+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))	BDBM167907 (1-Pyrrolidinecarboxylic acid-4-(5,6,7-trihydroxy-4...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCCC2)cc1 Show InChI InChI=1S/C20H17NO7/c22-13-9-15(28-16-10-14(23)18(24)19(25)17(13)16)11-3-5-12(6-4-11)27-20(26)21-7-1-2-8-21/h3-6,9-10,23-25H,1-2,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+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
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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167913 (N,N-diethylcarbamic acid-4-[5,6,7-tris(acetyloxy)-...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC(C)=O)c(OC(C)=O)c(OC(C)=O)cc2o1 Show InChI InChI=1S/C26H25NO10/c1-6-27(7-2)26(32)36-18-10-8-17(9-11-18)20-12-19(31)23-21(37-20)13-22(33-14(3)28)24(34-15(4)29)25(23)35-16(5)30/h8-13H,6-7H2,1-5H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167914 (N,N-diethylcarbamic acid-4-[6,7-bis(acetyloxy)-5-h...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(OC(C)=O)c(OC(C)=O)cc2o1 Show InChI InChI=1S/C24H23NO9/c1-5-25(6-2)24(30)33-16-9-7-15(8-10-16)18-11-17(28)21-19(34-18)12-20(31-13(3)26)23(22(21)29)32-14(4)27/h7-12,29H,5-6H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.21E+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))	BDBM167910 (4-(Phenylmethyl)-1-piperidinecarboxylic acid-4-(5,...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H25NO7/c30-21-15-23(36-24-16-22(31)26(32)27(33)25(21)24)19-6-8-20(9-7-19)35-28(34)29-12-10-18(11-13-29)14-17-4-2-1-3-5-17/h1-9,15-16,18,31-33H,10-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.22E+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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167908 (4-Morpholinecarboxylic acid-4-(5,6,7-trihydroxy-4-...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C20H17NO8/c22-13-9-15(29-16-10-14(23)18(24)19(25)17(13)16)11-1-3-12(4-2-11)28-20(26)21-5-7-27-8-6-21/h1-4,9-10,23-25H,5-8H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167909 (1-Piperidinecarboxylic acid-4-(5,6,7-trihydroxy-4-...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C21H19NO7/c23-14-10-16(29-17-11-15(24)19(25)20(26)18(14)17)12-4-6-13(7-5-12)28-21(27)22-8-2-1-3-9-22/h4-7,10-11,24-26H,1-3,8-9H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM167907 (1-Pyrrolidinecarboxylic acid-4-(5,6,7-trihydroxy-4...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCCC2)cc1 Show InChI InChI=1S/C20H17NO7/c22-13-9-15(28-16-10-14(23)18(24)19(25)17(13)16)11-3-5-12(6-4-11)27-20(26)21-7-1-2-8-21/h3-6,9-10,23-25H,1-2,7-8H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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