Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50014707   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579331 (CHEMBL4852099) Show SMILES Fc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579329 (CHEMBL4863218) Show SMILES Clc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579335 (CHEMBL4854972) Show SMILES FC(F)(F)c1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579327 (CHEMBL4847532) Show SMILES Clc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579334 (CHEMBL4864206) Show SMILES Cc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579332 (CHEMBL4851595) Show SMILES [O-][N+](=O)c1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579328 (CHEMBL4878383) Show SMILES Clc1ccccc1CNCCNCCOc1cccc2n(ccc12)S(=O)(=O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579323 (CHEMBL4878361) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579320 (CHEMBL4874513) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579333 (CHEMBL4868597) Show SMILES COc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579321 (CHEMBL4848231) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579324 (CHEMBL4866788) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNCc3ccccc3)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579325 (CHEMBL4850488) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNCc3ccccc3)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579322 (CHEMBL4877482) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579319 (CHEMBL4850051) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579330 (CHEMBL4847373) Show SMILES Clc1cc(Cl)cc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579326 (CHEMBL4871964) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNCc3ccccc3)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579318 (CHEMBL4850546) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50579336 (CHEMBL4845823) Show SMILES CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579321 (CHEMBL4848231) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579322 (CHEMBL4877482) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50579318 (CHEMBL4850546) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579320 (CHEMBL4874513) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM50579319 (CHEMBL4850051) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50579319 (CHEMBL4850051) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579318 (CHEMBL4850546) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50579320 (CHEMBL4874513) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50579322 (CHEMBL4877482) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50579321 (CHEMBL4848231) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579326 (CHEMBL4871964) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNCc3ccccc3)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579336 (CHEMBL4845823) Show SMILES CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	455	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579323 (CHEMBL4878361) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	528	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579328 (CHEMBL4878383) Show SMILES Clc1ccccc1CNCCNCCOc1cccc2n(ccc12)S(=O)(=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	586	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579324 (CHEMBL4866788) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNCc3ccccc3)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	701	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579325 (CHEMBL4850488) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNCc3ccccc3)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	887	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579334 (CHEMBL4864206) Show SMILES Cc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579327 (CHEMBL4847532) Show SMILES Clc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50579318 (CHEMBL4850546) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HFIP-pretreated human recombinant amyloid beta (1 to 42) self aggregation incubated up to 48 hrs under shaking condition and measured e...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579331 (CHEMBL4852099) Show SMILES Fc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50579336 (CHEMBL4845823) Show SMILES CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HFIP-pretreated human recombinant amyloid beta (1 to 42) self aggregation incubated up to 48 hrs under shaking condition and measured e...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579330 (CHEMBL4847373) Show SMILES Clc1cc(Cl)cc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579329 (CHEMBL4863218) Show SMILES Clc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579333 (CHEMBL4868597) Show SMILES COc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50579335 (CHEMBL4854972) Show SMILES FC(F)(F)c1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113783 BindingDB Entry DOI: 10.7270/Q21V5JSC
					More data for this Ligand-Target Pair

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