Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'quiram' and Initial = 'p'   

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))	BDBM10469 (Bis-THA inhibitor 1c | Bis-THA inhibitor 8 | CHEMB...) Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10470 (Bis-THA inhibitor 1d | Bis-THA inhibitor 9 | CHEMB...) Show SMILES C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H46N4/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	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)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10469 (Bis-THA inhibitor 1c | Bis-THA inhibitor 8 | CHEMB...) Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10475 (N-(8-phenyloctyl)-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES C(CCCCc1ccccc1)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H34N2/c1(3-6-14-22-15-7-5-8-16-22)2-4-13-21-28-27-23-17-9-11-19-25(23)29-26-20-12-10-18-24(26)27/h5,7-9,11,15-17,19H,1-4,6,10,12-14,18,20-21H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10474 (N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-ami...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCc1ccccc1 Show InChI InChI=1S/C26H32N2/c1(2-5-13-21-14-6-4-7-15-21)3-12-20-27-26-22-16-8-10-18-24(22)28-25-19-11-9-17-23(25)26/h4,6-8,10,14-16,18H,1-3,5,9,11-13,17,19-20H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10470 (Bis-THA inhibitor 1d | Bis-THA inhibitor 9 | CHEMB...) Show SMILES C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H46N4/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10472 (N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-ami...) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCc1ccccc1 Show InChI InChI=1S/C24H28N2/c1-3-11-19(12-4-1)13-5-2-10-18-25-24-20-14-6-8-16-22(20)26-23-17-9-7-15-21(23)24/h1,3-4,6,8,11-12,14,16H,2,5,7,9-10,13,15,17-18H2,(H,25,26)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 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	590	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10473 (N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES C(CCCc1ccccc1)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C25H30N2/c1(4-12-20-13-5-3-6-14-20)2-11-19-26-25-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)25/h3,5-7,9,13-15,17H,1-2,4,8,10-12,16,18-19H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10473 (N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES C(CCCc1ccccc1)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C25H30N2/c1(4-12-20-13-5-3-6-14-20)2-11-19-26-25-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)25/h3,5-7,9,13-15,17H,1-2,4,8,10-12,16,18-19H2,(H,26,27)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10474 (N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-ami...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCc1ccccc1 Show InChI InChI=1S/C26H32N2/c1(2-5-13-21-14-6-4-7-15-21)3-12-20-27-26-22-16-8-10-18-24(22)28-25-19-11-9-17-23(25)26/h4,6-8,10,14-16,18H,1-3,5,9,11-13,17,19-20H2,(H,27,28)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10471 (N-(4-phenylbutyl)-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES C(CCc1ccccc1)CNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H26N2/c1-2-10-18(11-3-1)12-8-9-17-24-23-19-13-4-6-15-21(19)25-22-16-7-5-14-20(22)23/h1-4,6,10-11,13,15H,5,7-9,12,14,16-17H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10472 (N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-ami...) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCc1ccccc1 Show InChI InChI=1S/C24H28N2/c1-3-11-19(12-4-1)13-5-2-10-18-25-24-20-14-6-8-16-22(20)26-23-17-9-7-15-21(23)24/h1,3-4,6,8,11-12,14,16H,2,5,7,9-10,13,15,17-18H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10475 (N-(8-phenyloctyl)-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES C(CCCCc1ccccc1)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H34N2/c1(3-6-14-22-15-7-5-8-16-22)2-4-13-21-28-27-23-17-9-11-19-25(23)29-26-20-12-10-18-24(26)27/h5,7-9,11,15-17,19H,1-4,6,10,12-14,18,20-21H2,(H,28,29)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10476 (N-(9-phenylnonyl)-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCc1ccccc1 Show InChI InChI=1S/C28H36N2/c1(2-4-7-15-23-16-8-6-9-17-23)3-5-14-22-29-28-24-18-10-12-20-26(24)30-27-21-13-11-19-25(27)28/h6,8-10,12,16-18,20H,1-5,7,11,13-15,19,21-22H2,(H,29,30)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10477 (N-(10-phenyldecyl)-1,2,3,4-tetrahydroacridin-9-ami...) Show SMILES C(CCCCCc1ccccc1)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H38N2/c1(3-5-8-16-24-17-9-7-10-18-24)2-4-6-15-23-30-29-25-19-11-13-21-27(25)31-28-22-14-12-20-26(28)29/h7,9-11,13,17-19,21H,1-6,8,12,14-16,20,22-23H2,(H,30,31)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10476 (N-(9-phenylnonyl)-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCc1ccccc1 Show InChI InChI=1S/C28H36N2/c1(2-4-7-15-23-16-8-6-9-17-23)3-5-14-22-29-28-24-18-10-12-20-26(24)30-27-21-13-11-19-25(27)28/h6,8-10,12,16-18,20H,1-5,7,11,13-15,19,21-22H2,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10477 (N-(10-phenyldecyl)-1,2,3,4-tetrahydroacridin-9-ami...) Show SMILES C(CCCCCc1ccccc1)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H38N2/c1(3-5-8-16-24-17-9-7-10-18-24)2-4-6-15-23-30-29-25-19-11-13-21-27(25)31-28-22-14-12-20-26(28)29/h7,9-11,13,17-19,21H,1-6,8,12,14-16,20,22-23H2,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	7.4	37
Mayo Foundation for Medical Education and Research					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Biol Chem 271: 23646-9 (1996) Article DOI: 10.1074/jbc.271.39.23646 BindingDB Entry DOI: 10.7270/Q2XW4H0P
					More data for this Ligand-Target Pair