Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50012421   

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 (Electrophorus electricus (Electric eel))	BDBM50557532 (CHEMBL4792421) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Electrophorus electricus AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins follow...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557533 (CHEMBL4757683) Show SMILES COc1cc2C(=O)O\C(=C\c3ccc(O)c(c3)N3CCCCC3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557532 (CHEMBL4792421) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0920	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557531 (CHEMBL4778167) Show SMILES CCN(CC)c1cc(\C=C2\OC(=O)c3cc(OC)c(OC)cc23)ccc1O Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.307	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50557533 (CHEMBL4757683) Show SMILES COc1cc2C(=O)O\C(=C\c3ccc(O)c(c3)N3CCCCC3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.338	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557530 (CHEMBL4761887) Show SMILES CCN(CC)c1cc(\C=C2/OC(=O)c3cc(OC)c(OC)cc23)ccc1O Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.383	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50557532 (CHEMBL4792421) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.616	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50557531 (CHEMBL4778167) Show SMILES CCN(CC)c1cc(\C=C2\OC(=O)c3cc(OC)c(OC)cc23)ccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50557530 (CHEMBL4761887) Show SMILES CCN(CC)c1cc(\C=C2/OC(=O)c3cc(OC)c(OC)cc23)ccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557523 (CHEMBL4778409) Show SMILES COc1cc2C(=O)O\C(=C\c3ccc(N4CCCCC4)c(O)c3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50557523 (CHEMBL4778409) Show SMILES COc1cc2C(=O)O\C(=C\c3ccc(N4CCCCC4)c(O)c3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM10989 ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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 recombinant human MAOB using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					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	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557519 (CHEMBL4780953) Show SMILES CCN(CC)c1ccc(\C=C2\OC(=O)c3cc(OC)c(OC)cc23)cc1O Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557520 (CHEMBL4788648) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(N4CCCC4)c(O)c3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557536 (CHEMBL4754258) Show SMILES COc1cc2C(Cc3ccc(N4CCCCC4)c(O)c3)OC(=O)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50557522 (CHEMBL4780148) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(N4CCCCC4)c(O)c3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557522 (CHEMBL4780148) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(N4CCCCC4)c(O)c3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557518 (CHEMBL4746533) Show SMILES CCN(CC)c1ccc(\C=C2/OC(=O)c3cc(OC)c(OC)cc23)cc1O 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 Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557521 (CHEMBL4762169) Show SMILES COc1cc2C(=O)O\C(=C\c3ccc(N4CCCC4)c(O)c3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM10989 ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557535 (CHEMBL4765003) Show SMILES COc1cc2C(Cc3ccc(N4CCCC4)c(O)c3)OC(=O)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50557538 (CHEMBL4786674) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(N4CCN(C)CC4)c(O)c3)c2cc1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOB using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM29136 (CHEMBL92401 | Euphozid | Iprazid | Iproniazid) Show SMILES CC(C)NNC(=O)c1ccncc1 Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOB using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557534 (CHEMBL4752902) Show SMILES CCN(CC)c1ccc(CC2OC(=O)c3cc(OC)c(OC)cc23)cc1O Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557525 (CHEMBL4750877) Show SMILES COc1cc2C(=O)O\C(=C\c3ccc(N4CCOCC4)c(O)c3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557526 (CHEMBL4779785) Show SMILES COc1cc2C(=O)O\C(=C\c3ccc(N4CCN(C)CC4)c(O)c3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	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	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BuChE using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM29136 (CHEMBL92401 | Euphozid | Iprazid | Iproniazid) Show SMILES CC(C)NNC(=O)c1ccncc1 Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50557532 (CHEMBL4792421) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOB using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557537 (CHEMBL4798284) Show SMILES COc1cc2C(Cc3ccc(N4CCOCC4)c(O)c3)OC(=O)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557527 (CHEMBL4740443) Show SMILES COc1cc2C(=O)O\C(=C/c3cccc(O)c3N3CCCC3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557524 (CHEMBL4782916) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(N4CCOCC4)c(O)c3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557529 (CHEMBL4749366) Show SMILES COc1cc2C(=O)O\C(=C\c3cccc(O)c3N3CCN(C)CC3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOB using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557528 (CHEMBL4791232) Show SMILES COc1cc2C(=O)O\C(=C\c3cccc(O)c3N3CCCC3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	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	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BuChE using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
					More data for this Ligand-Target Pair