Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'darla mark' and Initial = 'm'   

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))	BDBM189374 (N-(3-bromobenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-f...) Show SMILES Brc1cccc(CNC(=O)c2cc3c(ccc4ccc(=O)oc34)oc2=N)c1 Show InChI InChI=1S/C20H13BrN2O4/c21-13-3-1-2-11(8-13)10-23-20(25)15-9-14-16(26-19(15)22)6-4-12-5-7-17(24)27-18(12)14/h1-9,22H,10H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189373 (N-(2-bromobenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-f...) Show SMILES Brc1ccccc1CNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C20H13BrN2O4/c21-15-4-2-1-3-12(15)10-23-20(25)14-9-13-16(26-19(14)22)7-5-11-6-8-17(24)27-18(11)13/h1-9,22H,10H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189375 (N-(2-chlorobenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-...) Show SMILES Clc1ccccc1CNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C20H13ClN2O4/c21-15-4-2-1-3-12(15)10-23-20(25)14-9-13-16(26-19(14)22)7-5-11-6-8-17(24)27-18(11)13/h1-9,22H,10H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189377 (N-(4-(tert-butyl)benzyl)-8-imino-4-methyl-2-oxo-2H...) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C25H24N2O4/c1-14-11-21(28)31-22-17(14)9-10-20-18(22)12-19(23(26)30-20)24(29)27-13-15-5-7-16(8-6-15)25(2,3)4/h5-12,26H,13H2,1-4H3,(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189364 (N-dodecyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromen...) Show SMILES CCCCCCCCCCCCNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C25H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16-27-25(29)20-17-19-21(30-24(20)26)14-12-18-13-15-22(28)31-23(18)19/h12-15,17,26H,2-11,16H2,1H3,(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189376 (N-(3-chlorobenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-...) Show SMILES Clc1cccc(CNC(=O)c2cc3c(ccc4ccc(=O)oc34)oc2=N)c1 Show InChI InChI=1S/C20H13ClN2O4/c21-13-3-1-2-11(8-13)10-23-20(25)15-9-14-16(26-19(15)22)6-4-12-5-7-17(24)27-18(12)14/h1-9,22H,10H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189366 (N-cyclohexyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chro...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CCCCC1 Show InChI InChI=1S/C19H18N2O4/c20-18-14(19(23)21-12-4-2-1-3-5-12)10-13-15(24-18)8-6-11-7-9-16(22)25-17(11)13/h6-10,12,20H,1-5H2,(H,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189367 (8-imino-9-(morpholine-4-carbonyl)-2H,8H-pyrano[2,3...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)N1CCOCC1 Show InChI InChI=1S/C17H14N2O5/c18-16-12(17(21)19-5-7-22-8-6-19)9-11-13(23-16)3-1-10-2-4-14(20)24-15(10)11/h1-4,9,18H,5-8H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189363 (N-ethyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene-...) Show SMILES CCNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C15H12N2O4/c1-2-17-15(19)10-7-9-11(20-14(10)16)5-3-8-4-6-12(18)21-13(8)9/h3-7,16H,2H2,1H3,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189372 (N-(2,4-dimethoxybenzyl)-8-imino-2-oxo-2H,8H-pyrano...) Show SMILES COc1ccc(CNC(=O)c2cc3c(ccc4ccc(=O)oc34)oc2=N)c(OC)c1 Show InChI InChI=1S/C22H18N2O6/c1-27-14-6-3-13(18(9-14)28-2)11-24-22(26)16-10-15-17(29-21(16)23)7-4-12-5-8-19(25)30-20(12)15/h3-10,23H,11H2,1-2H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189371 (8-imino-N-(1-(4-methoxyphenyl)ethyl)-2-oxo-2H,8Hpy...) Show SMILES COc1ccc(cc1)C(C)NC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C22H18N2O5/c1-12(13-3-7-15(27-2)8-4-13)24-22(26)17-11-16-18(28-21(17)23)9-5-14-6-10-19(25)29-20(14)16/h3-12,23H,1-2H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189362 (8-imino-N-methyl-2-oxo-2H,8H-pyrano[2,3-f]chromene...) Show SMILES CNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C14H10N2O4/c1-16-14(18)9-6-8-10(19-13(9)15)4-2-7-3-5-11(17)20-12(7)8/h2-6,15H,1H3,(H,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189378 (8-imino-N-(2-(2-methoxyphenoxy)ethyl)-2-oxo-2H,8H-...) Show SMILES COc1ccccc1OCCNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C22H18N2O6/c1-27-17-4-2-3-5-18(17)28-11-10-24-22(26)15-12-14-16(29-21(15)23)8-6-13-7-9-19(25)30-20(13)14/h2-9,12,23H,10-11H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189369 (8-imino-2-oxo-N-(1-phenylethyl)-2H,8H-pyrano[2,3-f...) Show SMILES CC(NC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N)c1ccccc1 Show InChI InChI=1S/C21H16N2O4/c1-12(13-5-3-2-4-6-13)23-21(25)16-11-15-17(26-20(16)22)9-7-14-8-10-18(24)27-19(14)15/h2-12,22H,1H3,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	462	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189368 (N-benzyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H14N2O4/c21-19-15(20(24)22-11-12-4-2-1-3-5-12)10-14-16(25-19)8-6-13-7-9-17(23)26-18(13)14/h1-10,21H,11H2,(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	497	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
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	665	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189370 (N-benzhydryl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chro...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H18N2O4/c27-25-20(15-19-21(31-25)13-11-18-12-14-22(29)32-24(18)19)26(30)28-23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,23,27H,(H,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	669	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189365 (N-cyclopropyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chr...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CC1 Show InChI InChI=1S/C16H12N2O4/c17-15-11(16(20)18-9-3-4-9)7-10-12(21-15)5-1-8-2-6-13(19)22-14(8)10/h1-2,5-7,9,17H,3-4H2,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	799	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair