Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50049180   

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
Cholinesterase (Homo sapiens (Human))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured afte...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50235801 (CHEMBL4098455) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC Show InChI InChI=1S/C21H35N3O5.ClH/c1-8-21(4,5)22-14-18(25)15-11-16(28-19(26)23(6)9-2)13-17(12-15)29-20(27)24(7)10-3;/h11-13,18,22,25H,8-10,14H2,1-7H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50235799 (CHEMBL4096024) Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C19H31N3O5.ClH/c1-8-19(2,3)20-12-16(23)13-9-14(26-17(24)21(4)5)11-15(10-13)27-18(25)22(6)7;/h9-11,16,20,23H,8,12H2,1-7H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235808 (CHEMBL4060055) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCCC1 Show InChI InChI=1S/C19H29N3O5/c1-20(2)18(24)26-15-10-14(11-16(12-15)27-19(25)21(3)4)17(23)13-22-8-6-5-7-9-22/h10-12,17,23H,5-9,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235805 (CHEMBL4100415) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CN1CCCCC1 Show InChI InChI=1S/C21H33N3O5.ClH/c1-5-22(3)20(26)28-17-12-16(19(25)15-24-10-8-7-9-11-24)13-18(14-17)29-21(27)23(4)6-2;/h12-14,19,25H,5-11,15H2,1-4H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235810 (CHEMBL4087355) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C20H33N3O5.ClH/c1-8-22(6)18(25)27-15-10-14(17(24)13-21-20(3,4)5)11-16(12-15)28-19(26)23(7)9-2;/h10-12,17,21,24H,8-9,13H2,1-7H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235801 (CHEMBL4098455) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC Show InChI InChI=1S/C21H35N3O5.ClH/c1-8-21(4,5)22-14-18(25)15-11-16(28-19(26)23(6)9-2)13-17(12-15)29-20(27)24(7)10-3;/h11-13,18,22,25H,8-10,14H2,1-7H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured afte...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235799 (CHEMBL4096024) Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C19H31N3O5.ClH/c1-8-19(2,3)20-12-16(23)13-9-14(26-17(24)21(4)5)11-15(10-13)27-18(25)22(6)7;/h9-11,16,20,23H,8,12H2,1-7H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the neurotransmitter serotonin-5-HT reuptake system using [3H]5-HT as radioligand				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235811 (CHEMBL4103773) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC1CCCC1 Show InChI InChI=1S/C19H29N3O5/c1-21(2)18(24)26-15-9-13(10-16(11-15)27-19(25)22(3)4)17(23)12-20-14-7-5-6-8-14/h9-11,14,17,20,23H,5-8,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured afte...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235806 (CHEMBL4068709) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC1CCCCC1 Show InChI InChI=1S/C20H31N3O5/c1-22(2)19(25)27-16-10-14(11-17(12-16)28-20(26)23(3)4)18(24)13-21-15-8-6-5-7-9-15/h10-12,15,18,21,24H,5-9,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235809 (CHEMBL4080437) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCC1 Show InChI InChI=1S/C18H27N3O5/c1-19(2)17(23)25-14-9-13(16(22)12-21-7-5-6-8-21)10-15(11-14)26-18(24)20(3)4/h9-11,16,22H,5-8,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235798 (CHEMBL4079521) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)c1ccccc1 Show InChI InChI=1S/C23H31N3O5/c1-23(2,17-10-8-7-9-11-17)24-15-20(27)16-12-18(30-21(28)25(3)4)14-19(13-16)31-22(29)26(5)6/h7-14,20,24,27H,15H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	476	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235804 (CHEMBL4087400) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1cccc(c1)C#C Show InChI InChI=1S/C22H25N3O5/c1-6-15-8-7-9-17(10-15)23-14-20(26)16-11-18(29-21(27)24(2)3)13-19(12-16)30-22(28)25(4)5/h1,7-13,20,23,26H,14H2,2-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	686	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured afte...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235802 (CHEMBL4104228) Show SMILES Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C#N Show InChI InChI=1S/C18H26N4O5.ClH/c1-18(2,11-19)20-10-15(23)12-7-13(26-16(24)21(3)4)9-14(8-12)27-17(25)22(5)6;/h7-9,15,20,23H,10H2,1-6H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235803 (CHEMBL4065998) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1ccccc1 Show InChI InChI=1S/C20H25N3O5/c1-22(2)19(25)27-16-10-14(11-17(12-16)28-20(26)23(3)4)18(24)13-21-15-8-6-5-7-9-15/h5-12,18,21,24H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Tested for the ability to compete with [125I]-CO13 ([125I]-Y-F-K-A-Cha-G-L-dF-R) for binding to C5a anaphylatoxin chemotactic receptor from human neu...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235807 (CHEMBL4088289) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1ccc(I)cc1 Show InChI InChI=1S/C20H24IN3O5/c1-23(2)19(26)28-16-9-13(10-17(11-16)29-20(27)24(3)4)18(25)12-22-15-7-5-14(21)6-8-15/h5-11,18,22,25H,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50235799 (CHEMBL4096024) Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C19H31N3O5.ClH/c1-8-19(2,3)20-12-16(23)13-9-14(26-17(24)21(4)5)11-15(10-13)27-18(25)22(6)7;/h9-11,16,20,23H,8,12H2,1-7H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50235801 (CHEMBL4098455) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC Show InChI InChI=1S/C21H35N3O5.ClH/c1-8-21(4,5)22-14-18(25)15-11-16(28-19(26)23(6)9-2)13-17(12-15)29-20(27)24(7)10-3;/h11-13,18,22,25H,8-10,14H2,1-7H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235809 (CHEMBL4080437) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCC1 Show InChI InChI=1S/C18H27N3O5/c1-19(2)17(23)25-14-9-13(16(22)12-21-7-5-6-8-21)10-15(11-14)26-18(24)20(3)4/h9-11,16,22H,5-8,12H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235811 (CHEMBL4103773) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC1CCCC1 Show InChI InChI=1S/C19H29N3O5/c1-21(2)18(24)26-15-9-13(10-16(11-15)27-19(25)22(3)4)17(23)12-20-14-7-5-6-8-14/h9-11,14,17,20,23H,5-8,12H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the neurotransmitter dopamine-DA reuptake system using [3H]dopamine as radioligand				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235805 (CHEMBL4100415) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CN1CCCCC1 Show InChI InChI=1S/C21H33N3O5.ClH/c1-5-22(3)20(26)28-17-12-16(19(25)15-24-10-8-7-9-11-24)13-18(14-17)29-21(27)23(4)6-2;/h12-14,19,25H,5-11,15H2,1-4H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235810 (CHEMBL4087355) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C20H33N3O5.ClH/c1-8-22(6)18(25)27-15-10-14(17(24)13-21-20(3,4)5)11-16(12-15)28-19(26)23(7)9-2;/h10-12,17,21,24H,8-9,13H2,1-7H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235801 (CHEMBL4098455) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC Show InChI InChI=1S/C21H35N3O5.ClH/c1-8-21(4,5)22-14-18(25)15-11-16(28-19(26)23(6)9-2)13-17(12-15)29-20(27)24(7)10-3;/h11-13,18,22,25H,8-10,14H2,1-7H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235808 (CHEMBL4060055) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCCC1 Show InChI InChI=1S/C19H29N3O5/c1-20(2)18(24)26-15-10-14(11-16(12-15)27-19(25)21(3)4)17(23)13-22-8-6-5-7-9-22/h10-12,17,23H,5-9,13H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235807 (CHEMBL4088289) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1ccc(I)cc1 Show InChI InChI=1S/C20H24IN3O5/c1-23(2)19(26)28-16-9-13(10-17(11-16)29-20(27)24(3)4)18(25)12-22-15-7-5-14(21)6-8-15/h5-11,18,22,25H,12H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235806 (CHEMBL4068709) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC1CCCCC1 Show InChI InChI=1S/C20H31N3O5/c1-22(2)19(25)27-16-10-14(11-17(12-16)28-20(26)23(3)4)18(24)13-21-15-8-6-5-7-9-15/h10-12,15,18,21,24H,5-9,13H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235804 (CHEMBL4087400) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1cccc(c1)C#C Show InChI InChI=1S/C22H25N3O5/c1-6-15-8-7-9-17(10-15)23-14-20(26)16-11-18(29-21(27)24(2)3)13-19(12-16)30-22(28)25(4)5/h1,7-13,20,23,26H,14H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235803 (CHEMBL4065998) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1ccccc1 Show InChI InChI=1S/C20H25N3O5/c1-22(2)19(25)27-16-10-14(11-17(12-16)28-20(26)23(3)4)18(24)13-21-15-8-6-5-7-9-15/h5-12,18,21,24H,13H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235802 (CHEMBL4104228) Show SMILES Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C#N Show InChI InChI=1S/C18H26N4O5.ClH/c1-18(2,11-19)20-10-15(23)12-7-13(26-16(24)21(3)4)9-14(8-12)27-17(25)22(5)6;/h7-9,15,20,23H,10H2,1-6H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235798 (CHEMBL4079521) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)c1ccccc1 Show InChI InChI=1S/C23H31N3O5/c1-23(2,17-10-8-7-9-11-17)24-15-20(27)16-12-18(30-21(28)25(3)4)14-19(13-16)31-22(29)26(5)6/h7-14,20,24,27H,15H2,1-6H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235799 (CHEMBL4096024) Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C19H31N3O5.ClH/c1-8-19(2,3)20-12-16(23)13-9-14(26-17(24)21(4)5)11-15(10-13)27-18(25)22(6)7;/h9-11,16,20,23H,8,12H2,1-7H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50235799 (CHEMBL4096024) Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C19H31N3O5.ClH/c1-8-19(2,3)20-12-16(23)13-9-14(26-17(24)21(4)5)11-15(10-13)27-18(25)22(6)7;/h9-11,16,20,23H,8,12H2,1-7H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Irreversible inhibition of human plasma BuChE assessed as second order carbamylation rate constant using S-butyrylthiocholine iodide as substrate pre...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.30E+5	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235801 (CHEMBL4098455) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC Show InChI InChI=1S/C21H35N3O5.ClH/c1-8-21(4,5)22-14-18(25)15-11-16(28-19(26)23(6)9-2)13-17(12-15)29-20(27)24(7)10-3;/h11-13,18,22,25H,8-10,14H2,1-7H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	2.48E+3	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235799 (CHEMBL4096024) Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C19H31N3O5.ClH/c1-8-19(2,3)20-12-16(23)13-9-14(26-17(24)21(4)5)11-15(10-13)27-18(25)22(6)7;/h9-11,16,20,23H,8,12H2,1-7H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	2.37E+3	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Irreversible inhibition of equine serum BuChE assessed as second order carbamylation rate constant using S-butyrylthiocholine iodide as substrate pre...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50235801 (CHEMBL4098455) Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC Show InChI InChI=1S/C21H35N3O5.ClH/c1-8-21(4,5)22-14-18(25)15-11-16(28-19(26)23(6)9-2)13-17(12-15)29-20(27)24(7)10-3;/h11-13,18,22,25H,8-10,14H2,1-7H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.22E+5	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Tested for the ability to compete with [125I]-CO13 ([125I]-Y-F-K-A-Cha-G-L-dF-R) for binding to C5a anaphylatoxin chemotactic receptor from human neu...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair