Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'sopkova-de oliveira-santos' and Initial = 'j'   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91581 (Thiaindanone, 3) Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2CC(N=O)c3c(Br)sc(Br)c23)CC1 Show InChI InChI=1S/C20H21Br2FN4O2S/c21-19-17-14(9-15(25-29)18(17)20(22)30-19)24-16(28)11-27-7-5-26(6-8-27)10-12-3-1-2-4-13(12)23/h1-4,14-15H,5-11H2,(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91580 (Thiaindanone, 2) Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2CC(=O)c3c(Br)sc(Br)c23)CC1 Show InChI InChI=1S/C20H20Br2FN3O2S/c21-19-17-14(9-15(27)18(17)20(22)29-19)24-16(28)11-26-7-5-25(6-8-26)10-12-3-1-2-4-13(12)23/h1-4,14H,5-11H2,(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91582 (Thiaindanone, 11) Show SMILES OC1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12 Show InChI InChI=1S/C20H22Br2FN3O2S/c21-19-17-14(9-15(27)18(17)20(22)29-19)24-16(28)11-26-7-5-25(6-8-26)10-12-3-1-2-4-13(12)23/h1-4,14-15,27H,5-11H2,(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91587 (Thiaindanone, 1) Show SMILES Brc1sc(Br)c2C(=O)CC(NC(=O)CN3CCN(Cc4ccccc4)CC3)c12 Show InChI InChI=1S/C20H21Br2N3O2S/c21-19-17-14(10-15(26)18(17)20(22)28-19)23-16(27)12-25-8-6-24(7-9-25)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91584 (Thiaindanone, 13) Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2CC(Cl)c3c(Br)sc(Br)c23)CC1 Show InChI InChI=1S/C20H21Br2ClFN3OS/c21-19-17-13(23)9-15(18(17)20(22)29-19)25-16(28)11-27-7-5-26(6-8-27)10-12-3-1-2-4-14(12)24/h1-4,13,15H,5-11H2,(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91585 (Thiaindanone, 14) Show SMILES NN=C1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12 |w:1.0| Show InChI InChI=1S/C20H22Br2FN5OS/c21-19-17-14(9-15(26-24)18(17)20(22)30-19)25-16(29)11-28-7-5-27(6-8-28)10-12-3-1-2-4-13(12)23/h1-4,14H,5-11,24H2,(H,25,29)	PDB MMDB 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	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91583 (Thiaindanone, 12) Show SMILES FC1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12 Show InChI InChI=1S/C20H21Br2F2N3OS/c21-19-17-14(24)9-15(18(17)20(22)29-19)25-16(28)11-27-7-5-26(6-8-27)10-12-3-1-2-4-13(12)23/h1-4,14-15H,5-11H2,(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91586 (Thiaindanone, 15) Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2C\C(=C/C#C)c3c(Br)sc(Br)c23)CC1 Show InChI InChI=1S/C23H22Br2FN3OS/c1-2-5-15-12-18(21-20(15)22(24)31-23(21)25)27-19(30)14-29-10-8-28(9-11-29)13-16-6-3-4-7-17(16)26/h1,3-7,18H,8-14H2,(H,27,30)/b15-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91588 (Thiaindanone, 16) Show SMILES Brc1sc(Br)c2C(=O)CC(NC(=O)CCCCCCc3ccccc3)c12 Show InChI InChI=1S/C20H21Br2NO2S/c21-19-17-14(12-15(24)18(17)20(22)26-19)23-16(25)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,14H,1-2,4,7-8,11-12H2,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91589 (Thiaindanone, 17) Show SMILES Brc1sc(Br)c2C(=O)CC(NC(=O)CCc3c[nH]c4ccccc34)c12 Show InChI InChI=1S/C18H14Br2N2O2S/c19-17-15-12(7-13(23)16(15)18(20)25-17)22-14(24)6-5-9-8-21-11-4-2-1-3-10(9)11/h1-4,8,12,21H,5-7H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM91590 (Thiaindanone, 19) Show SMILES Brc1sc(Br)c2C(=O)CC(NC(=O)CCCN3CCc4ccccc4C3)c12 Show InChI InChI=1S/C20H20Br2N2O2S/c21-19-17-14(10-15(25)18(17)20(22)27-19)23-16(26)6-3-8-24-9-7-12-4-1-2-5-13(12)11-24/h1-2,4-5,14H,3,6-11H2,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie					Assay Description Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...				J Enzyme Inhib Med Chem 23: 696-703 (2008) Article DOI: 10.1080/14756360802208053 BindingDB Entry DOI: 10.7270/Q2SX6BT7
					More data for this Ligand-Target Pair