Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'mcanuff' and Initial = 'ma'   

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 (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Hunter College					Assay Description IC50 values for compounds 8, 15a, 15b, 16 and 17 determined with a microplate assay [Rhee et al., J. Chromatogr., 915:217-223] using lyophilised Elec...				J Enzyme Inhib Med Chem 26: 46-55 (2011) Article DOI: 10.3109/14756361003671078 BindingDB Entry DOI: 10.7270/Q2T43RZ7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50114920 ((+/-)-Nantenine | Nantenine | Nantenine (8)) Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Hunter College					Assay Description IC50 values for compounds 8, 15a, 15b, 16 and 17 determined with a microplate assay [Rhee et al., J. Chromatogr., 915:217-223] using lyophilised Elec...				J Enzyme Inhib Med Chem 26: 46-55 (2011) Article DOI: 10.3109/14756361003671078 BindingDB Entry DOI: 10.7270/Q2T43RZ7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM234331 (8-(benzo[d][1,3]dioxol-5-yl)-6,7-dimethoxy-1,2-dim...) Show SMILES COc1cc2CCN(C)C(C)c2c(-c2ccc3OCOc3c2)c1OC Show InChI InChI=1S/C20H23NO4/c1-12-18-14(7-8-21(12)2)10-17(22-3)20(23-4)19(18)13-5-6-15-16(9-13)25-11-24-15/h5-6,9-10,12H,7-8,11H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Hunter College					Assay Description IC50 values for compounds 8, 15a, 15b, 16 and 17 determined with a microplate assay [Rhee et al., J. Chromatogr., 915:217-223] using lyophilised Elec...				J Enzyme Inhib Med Chem 26: 46-55 (2011) Article DOI: 10.3109/14756361003671078 BindingDB Entry DOI: 10.7270/Q2T43RZ7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM234330 (8-(benzo[d][1,3]dioxol-5-yl)-6,7-dimethoxy-2-methy...) Show SMILES COc1cc2CCN(C)Cc2c(-c2ccc3OCOc3c2)c1OC Show InChI InChI=1S/C19H21NO4/c1-20-7-6-12-8-17(21-2)19(22-3)18(14(12)10-20)13-4-5-15-16(9-13)24-11-23-15/h4-5,8-9H,6-7,10-11H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Hunter College					Assay Description IC50 values for compounds 8, 15a, 15b, 16 and 17 determined with a microplate assay [Rhee et al., J. Chromatogr., 915:217-223] using lyophilised Elec...				J Enzyme Inhib Med Chem 26: 46-55 (2011) Article DOI: 10.3109/14756361003671078 BindingDB Entry DOI: 10.7270/Q2T43RZ7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM234332 (Nantenine analog, 16) Show SMILES COc1cc2CCN(C)C(Cc3ccc4OCOc4c3)c2cc1OC Show InChI InChI=1S/C20H23NO4/c1-21-7-6-14-10-18(22-2)19(23-3)11-15(14)16(21)8-13-4-5-17-20(9-13)25-12-24-17/h4-5,9-11,16H,6-8,12H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Hunter College					Assay Description IC50 values for compounds 8, 15a, 15b, 16 and 17 determined with a microplate assay [Rhee et al., J. Chromatogr., 915:217-223] using lyophilised Elec...				J Enzyme Inhib Med Chem 26: 46-55 (2011) Article DOI: 10.3109/14756361003671078 BindingDB Entry DOI: 10.7270/Q2T43RZ7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM234333 (Nantenine analog, 17) Show SMILES COc1ccc(CCN(C)CCc2ccc3OCOc3c2)cc1OC Show InChI InChI=1S/C20H25NO4/c1-21(10-8-15-4-6-17(22-2)19(12-15)23-3)11-9-16-5-7-18-20(13-16)25-14-24-18/h4-7,12-13H,8-11,14H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Hunter College					Assay Description IC50 values for compounds 8, 15a, 15b, 16 and 17 determined with a microplate assay [Rhee et al., J. Chromatogr., 915:217-223] using lyophilised Elec...				J Enzyme Inhib Med Chem 26: 46-55 (2011) Article DOI: 10.3109/14756361003671078 BindingDB Entry DOI: 10.7270/Q2T43RZ7
					More data for this Ligand-Target Pair