Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50042754   

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))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430535 (CHEMBL2336426) Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H43ClN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430534 (CHEMBL2336428) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430528 (CHEMBL2336434) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41FN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430536 (CHEMBL2335980) Show SMILES C(CCCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C50H46N4/c1(3-23-37-53-47(41-29-15-7-16-30-41)45(39-25-11-5-12-26-39)51-49(53)43-33-19-9-20-34-43)2-4-24-38-54-48(42-31-17-8-18-32-42)46(40-27-13-6-14-28-40)52-50(54)44-35-21-10-22-36-44/h5-22,25-36H,1-4,23-24,37-38H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430529 (CHEMBL2336432) Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41ClN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430527 (CHEMBL2335966) Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H44N4O/c1-47-34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,2-4,12,14-16,22,24,29-30H2,1H3,(H,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430525 (CHEMBL2335968) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41N5O2/c47-46(48)33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-1-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430530 (CHEMBL2336431) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C41H42N4/c1(2-17-29-42-39-34-25-13-15-27-36(34)43-37-28-16-14-26-35(37)39)3-18-30-45-40(32-21-9-5-10-22-32)38(31-19-7-4-8-20-31)44-41(45)33-23-11-6-12-24-33/h4-13,15,19-25,27H,1-3,14,16-18,26,28-30H2,(H,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430533 (CHEMBL2336429) Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C43H46N4O/c1-48-35-28-26-34(27-29-35)43-46-40(32-18-8-6-9-19-32)42(33-20-10-7-11-21-33)47(43)31-17-5-3-2-4-16-30-44-41-36-22-12-14-24-38(36)45-39-25-15-13-23-37(39)41/h6-12,14,18-22,24,26-29H,2-5,13,15-17,23,25,30-31H2,1H3,(H,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair