Compounds in cluster

There are 359 purchasable compounds for target: Acetylcholinesterase (human AChE)

Wt: 286.2 BDBM7462 Purchase	Wt: 286.2 BDBM7459 Purchase	Wt: 302.2 BDBM7460 Purchase	Wt: 286.2 BDBM7457 Purchase	Wt: 270.2 BDBM7458 Purchase
Wt: 478.6 BDBM9047 Purchase	Wt: 258.3 BDBM8994 Purchase	Wt: 190.3 BDBM8978 Purchase	Wt: 537.5 BDBM9012 Purchase	Wt: 212.2 BDBM8984 Purchase
Wt: 312.4 BDBM8958 Purchase	Wt: 379.4 BDBM8960 Purchase	Wt: 492.6 BDBM8963 Purchase	Wt: 198.2 BDBM8961 Purchase	Wt: 214.2 BDBM9347 Purchase

Displayed 1 to 15 (of 391 total ) | Next | Last >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 223 hits for monomerid = 7457,7458,7459,7460,7462,8958,8960,8961,8963,8978,8984,8994,9012,9047,9347
Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (human))	BDBM8963 (CHEMBL32823 \| Homodimeric Tacrine Analog 3b \| N-[7...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars AffyNet	Article PubMed	1.30	-12.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				J Med Chem 48: 1919-29 (2005)
Universita di Siena					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8963 (CHEMBL32823 \| Homodimeric Tacrine Analog 3b \| N-[7...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars AffyNet	Article PubMed	1.30	-12.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita degli Studi di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				Bioorg Med Chem Lett 11: 1779-82 (2001)
Universita degli Studi di Siena					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB Article PubMed	2.90	-11.6	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				J Med Chem 48: 1919-29 (2005)
Universita di Siena					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine \| 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	6.90	-11.0	n/a	n/a	n/a	n/a	n/a	7.4	22
University of North Carolina at Chapel Hill					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				Chem Biol 10: 341-9 (2003)
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem Lett 23: 702-5 (2013)
Birla Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine \| 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Erzurum Technical University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...				Bioorg Med Chem 24: 2318-29 (2016)
Erzurum Technical University Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	7.64	n/a	7.53	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 �L of Tris/HCl buffer (...				Bioorg Chem 60: 49-57 (2015)
Ataturk University					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi della Magna Gr£cia Viale Europa Curated by ChEMBL					Assay Description Mixed inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis				ACS Med Chem Lett 7: 470-5 (2016)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB Article PubMed	20.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 47: 6490-8 (2004)
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB Article PubMed	20.5	-10.9	23.1	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 46: 2279-82 (2003)
University of Bologna					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of AChE				J Med Chem 53: 5906-14 (2010)
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology					Assay Description Inhibition assay using AChE and BuChE.				Chem Biol Drug Des 80: 605-15 (2012)
COMSATS Institute of Information Technology					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine \| 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012)
Central China Normal University Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 18: 5213-6 (2008)
					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014)
Central China Normal University Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	40	-10.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				J Med Chem 48: 1919-29 (2005)
Universita di Siena					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	40	-10.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita degli Studi di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				Bioorg Med Chem Lett 11: 1779-82 (2001)
Universita degli Studi di Siena					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...				Eur J Med Chem 55: 23-31 (2012)
P. J. Safarik University Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot				J Med Chem 57: 7073-84 (2014)
P. J. Safarik University Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	137	-9.36	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...				J Med Chem 49: 3421-5 (2006)
Universita di Siena					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PubMed	151	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna					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 ...				Bioorg Med Chem 8: 497-506 (2000)
University of Bologna					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Competitive inhibition constant for Acetylcholinesterase				J Med Chem 48: 24-7 (2005)
University of Bologna Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibitory activity of compound against acetylcholinesterase from human erythrocytes				J Med Chem 46: 954-66 (2003)
University of Bologna Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot				J Med Chem 57: 7073-84 (2014)
P. J. Safarik University Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...				Eur J Med Chem 55: 23-31 (2012)
P. J. Safarik University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine \| CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011)
University of Defence Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine \| CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010)
University of Defence Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine \| CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex				Bioorg Med Chem Lett 21: 2505-9 (2011)
Charles University Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 51: 3154-70 (2008)
Universit£ di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research and Occupational Health Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman's method				Eur J Med Chem 45: 186-92 (2010)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	6.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research and Occupational Health Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman's method				Eur J Med Chem 45: 186-92 (2010)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	9.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research and Occupational Health Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman's method				Eur J Med Chem 45: 186-92 (2010)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM7457 (2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research and Occupational Health Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman's method				Eur J Med Chem 45: 186-92 (2010)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research and Occupational Health Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman's method				Eur J Med Chem 45: 186-92 (2010)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine \| CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	1.73E+5	-5.13	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				J Med Chem 48: 1919-29 (2005)
Universita di Siena					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine \| CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	1.21E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011)
University of Defence Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine \| CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	1.21E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex				Bioorg Med Chem Lett 21: 2505-9 (2011)
Charles University Curated by ChEMBL					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	8.0	37
National Institutes of Health					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 45: 3684-91 (2002)
National Institutes of Health					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	8.0	37
National Institutes of Health					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 45: 3684-91 (2002)
National Institutes of Health					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine \| 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...				J Med Chem 43: 2007-18 (2000)
University of Bologna					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8984 (7-methyl-1,2,3,4-tetrahydroacridin-9-amine \| Tacri...) Show SMILES Cc1ccc2nc3CCCCc3c(N)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...				J Med Chem 43: 2007-18 (2000)
University of Bologna					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8994 (6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine \| ...) Show SMILES COc1cc2nc3CCCCc3c(N)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...				J Med Chem 43: 2007-18 (2000)
University of Bologna					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM9012 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars AffyNet	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)
Instituto de Quimica Medica (CSIC)					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	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)
Instituto de Quimica Medica (CSIC)					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	424	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 48: 360-3 (2005)
University of Bologna					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 48: 1701-4 (2005)
Universitat de Barcelona					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					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: 2174-85 (2006)
National Institutes of Health					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					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: 2174-85 (2006)
National Institutes of Health					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine \| 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007)
CNRS					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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	7.2	22
CSIC					Assay Description The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...				J Med Chem 52: 2724-32 (2009)
CSIC					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 223 total ) | Next | Last >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 7457,7458,7459,7460,7462,8958,8960,8961,8963,8978,8984,8994,9012,9047,9347
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)	Serine/threonine-protein kinase PIM (Homo sapiens (human))	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB	-9.78	-0.257	-9.58	7.59	7.5	10
	Oxford University	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB	J Med Chem 48: 7604-14 (2005)
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-8.08	0.840	-8.92	5.83	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-7.40	-2.66	-4.74	5.34	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	-7.12	-4.08	-3.05	5.14	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)
Transcriptional Regulator TtgR-DNA (Pseudomonas putida)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-7.94	-2.82	-5.12	5.73	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-6.66	-5.38	-1.28	4.81	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)