Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'fernandez-bachiller' and Initial = 'mi'   

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 (Homo sapiens (Human))	BDBM9012 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9017 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9009 (7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9009 (7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9018 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9007 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9014 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9010 (6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12 Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9007 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9007 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9018 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9008 (6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9013 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C30H36N4O2/c1-36-22-14-15-26-25(19-22)21(20-33-26)16-18-31-29(35)13-3-2-8-17-32-30-23-9-4-6-11-27(23)34-28-12-7-5-10-24(28)30/h4,6,9,11,14-15,19-20,33H,2-3,5,7-8,10,12-13,16-18H2,1H3,(H,31,35)(H,32,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9012 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9014 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9014 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9014 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9018 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9011 (6-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9006 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C29H34N4O/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9017 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9008 (6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9007 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9012 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9009 (7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9011 (6-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9013 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C30H36N4O2/c1-36-22-14-15-26-25(19-22)21(20-33-26)16-18-31-29(35)13-3-2-8-17-32-30-23-9-4-6-11-27(23)34-28-12-7-5-10-24(28)30/h4,6,9,11,14-15,19-20,33H,2-3,5,7-8,10,12-13,16-18H2,1H3,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM9015 (6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1 Show InChI InChI=1S/C30H35ClN4O2/c1-37-22-11-13-26-25(18-22)20(19-34-26)14-16-32-29(36)9-3-2-6-15-33-30-23-7-4-5-8-27(23)35-28-17-21(31)10-12-24(28)30/h10-13,17-19,34H,2-9,14-16H2,1H3,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9006 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C29H34N4O/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9010 (6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12 Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9016 (6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1 Show InChI InChI=1S/C30H35ClN4O2/c1-37-21-13-14-25-23(18-21)20(19-34-25)15-17-32-28(36)12-3-2-6-16-33-30-22-8-4-5-10-26(22)35-27-11-7-9-24(31)29(27)30/h7,9,11,13-14,18-19,34H,2-6,8,10,12,15-17H2,1H3,(H,32,36)(H,33,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9010 (6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12 Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9017 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9016 (6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1 Show InChI InChI=1S/C30H35ClN4O2/c1-37-21-13-14-25-23(18-21)20(19-34-25)15-17-32-28(36)12-3-2-6-16-33-30-22-8-4-5-10-26(22)35-27-11-7-9-24(31)29(27)30/h7,9,11,13-14,18-19,34H,2-6,8,10,12,15-17H2,1H3,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9009 (7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9018 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9015 (6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1 Show InChI InChI=1S/C30H35ClN4O2/c1-37-22-11-13-26-25(18-22)20(19-34-26)14-16-32-29(36)9-3-2-6-15-33-30-23-7-4-5-8-27(23)35-28-17-21(31)10-12-24(28)30/h10-13,17-19,34H,2-9,14-16H2,1H3,(H,32,36)(H,33,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9010 (6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12 Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9012 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9017 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair				3D Structure (crystal)