Compounds in cluster

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

Wt: 214.1 BDBM152532 Purchase	Wt: 304.3 BDBM152536 Purchase	Wt: 318.3 BDBM152547 Purchase	Wt: 217.0 BDBM152502 Purchase	Wt: 272.2 BDBM152505 Purchase
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

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 152532,152536,152547,152502,152505,7462,7459,7460,7457,7458,9047,8994,8978,9012,8984
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))	BDBM152502 (2-bromo-1,4-dimethoxybenzene (14)) Show SMILES COc1ccc(OC)c(Br)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem AffyNet	Article PubMed	4.25	n/a	7.21	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 (...				Citation and Details
Ataturk University					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM152505 ((2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone (1...) Show SMILES COc1ccc(cc1)C(=O)c1ccc(OC)cc1OC 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	5.88	n/a	5.25	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 (...				Citation and Details
Ataturk University					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				Citation and Details
					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				Citation and Details
					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				Citation and Details
					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				Citation and Details
					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				Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM8978 ((Propylcarbonylthioethyl)trimethylammonium iodide ...) Show SMILES CCCC(=O)SCC[N+](C)(C)C 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 Similars AffyNet	PDB Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition acetylcholinesterase (AChE) enzyme.				Citation and Details
Harvard University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
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	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against human erythrocyte acetylcholinesterase				Citation and Details
Universitat de Barcelona Curated by ChEMBL					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	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against human erythrocyte acetylcholinesterase				Citation and Details
Universitat de Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM152532 (Benzo[g]pteridine-2,4(3H,10H)-dione (7)) Show SMILES O=c1nc2[nH]c3ccccc3nc2c(=O)[nH]1 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	6.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda					Assay Description Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl...				Citation and Details
The M. S. University of Baroda					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM152536 (10-Benzylbenzo[g]pteridine-2,4(3H,10H)-dione (7d)) Show SMILES 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	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda					Assay Description Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl...				Citation and Details
The M. S. University of Baroda					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM152547 (10-Phenethylbenzo[g]pteridine-2,4(3H,10H)-dione (7...) Show SMILES 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	5.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda					Assay Description Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl...				Citation and Details
The M. S. University of Baroda					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		n/a	n/a	6.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu					Assay Description Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...				Bioorg Chem 72: 293-300 (2017)
Catholic University of Daegu					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM9047 (Bis-THA inhibitor 5 \| CHEMBL73800 \| Hexylene-Linke...) 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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Citation and Details
Sichuan University Curated by ChEMBL					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	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Citation and Details
Sichuan University Curated by ChEMBL					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	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Citation and Details
Sichuan University Curated by ChEMBL					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	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human AchE				Citation and Details
University of Bologna Curated by ChEMBL					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...				Citation and Details
University of Bologna					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		n/a	n/a	7.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu					Assay Description Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...				Bioorg Chem 72: 293-300 (2017)
Catholic University of Daegu					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...				Citation and Details
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	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 ...				Citation and Details
Instituto de Quimica Medica (CSIC)					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 152532,152536,152547,152502,152505,7462,7459,7460,7457,7458,9047,8994,8978,9012,8984
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
	TBA	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB	Details of this binding reaction
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
TBA		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	Details of this binding reaction
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
TBA		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	Details of this binding reaction
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
TBA		GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB	Details of this binding reaction
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
TBA		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	Details of this binding reaction
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
TBA		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	Details of this binding reaction