Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'bringmann' and Initial = 'g'   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50255702 (CHEMBL520612 | N-(4'-Methyl phenyl)-6,8-dimethoxy-...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1ccc(C)cc1 Show InChI InChI=1S/C20H22NO2/c1-13-6-8-17(9-7-13)21-14(2)10-16-11-18(22-4)12-19(23-5)20(16)15(21)3/h6-12H,1-5H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50255812 (CHEMBL481022 | N-(4'-i-Propylphenyl)-6,8-dimethoxy...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C22H26NO2/c1-14(2)17-7-9-19(10-8-17)23-15(3)11-18-12-20(24-5)13-21(25-6)22(18)16(23)4/h7-14H,1-6H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50198075 (6,8-dimethoxy-1,3-dimethyl-2-(naphthalen-1-yl)isoq...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1cccc2ccccc12 |(-7.05,6.23,;-7.05,4.69,;-5.73,3.91,;-5.73,2.37,;-4.39,1.6,;-4.39,.06,;-5.72,-.72,;-3.06,2.37,;-1.72,1.61,;-1.72,.07,;-.38,2.38,;-.39,3.93,;.94,4.71,;-1.73,4.7,;-3.06,3.92,;-4.4,4.69,;.96,1.62,;2.28,2.4,;3.61,1.64,;3.62,.09,;2.29,-.69,;2.3,-2.21,;.97,-2.98,;-.36,-2.21,;-.37,-.69,;.96,.09,)| Show InChI InChI=1S/C23H22NO2/c1-15-12-18-13-19(25-3)14-22(26-4)23(18)16(2)24(15)21-11-7-9-17-8-5-6-10-20(17)21/h5-14H,1-4H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by Lineweaver-Burk plot				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50160078 (CHEMBL3787613) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1 Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured a...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160078 (CHEMBL3787613) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1 Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM50160250 (CHEMBL3785472) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc2c1)C(C)C)c1ccccc1 Show InChI InChI=1S/C26H37N3O2/c1-5-6-7-8-12-17-27-26(30)31-23-15-16-24-22(18-23)19-29(20(2)3)25(28(24)4)21-13-10-9-11-14-21/h9-11,13-16,18,20,25H,5-8,12,17,19H2,1-4H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160255 (CHEMBL3785189) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccsc1 Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-12-23-22(26)27-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-28-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160077 (CHEMBL3785861) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cc[nH]c1 Show InChI InChI=1S/C22H32N4O2/c1-4-5-6-7-8-12-24-22(27)28-19-9-10-20-18(14-19)16-25(2)21(26(20)3)17-11-13-23-15-17/h9-11,13-15,21,23H,4-8,12,16H2,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160247 (CHEMBL3786119) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc3ccccc3)Cc2c1)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-14-6-5-9-16(12-14)21-18(15-7-3-2-4-8-15)17-13-19-10-11-20-17/h2-9,12,17-19H,10-11,13H2,1H3/t17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against Nicotinic acetylcholine receptor using [3H]-(-)-nicotine radioligand				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160249 (CHEMBL3785181) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(CCC)Cc2c1)c1ccccc1 Show InChI InChI=1S/C17H19NOS/c1-3-7-14(8-4-1)17(16-13-18-11-12-19-16)20-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160076 (CHEMBL3787116) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C24H32FN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50255702 (CHEMBL520612 | N-(4'-Methyl phenyl)-6,8-dimethoxy-...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1ccc(C)cc1 Show InChI InChI=1S/C20H22NO2/c1-13-6-8-17(9-7-13)21-14(2)10-16-11-18(22-4)12-19(23-5)20(16)15(21)3/h6-12H,1-5H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160254 (CHEMBL3786737) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccoc1 Show InChI InChI=1S/C22H31N3O3/c1-4-5-6-7-8-12-23-22(26)28-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-27-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160266 (CHEMBL3787106) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H32ClN3O2/c1-4-5-6-7-8-14-26-24(29)30-21-12-13-22-19(16-21)17-27(2)23(28(22)3)18-10-9-11-20(25)15-18/h9-13,15-16,23H,4-8,14,17H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160268 (CHEMBL3786381) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1 Show InChI InChI=1S/C24H33N3O2/c1-4-5-6-7-11-16-25-24(28)29-21-14-15-22-20(17-21)18-26(2)23(27(22)3)19-12-9-8-10-13-19/h8-10,12-15,17,23H,4-7,11,16,18H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50255812 (CHEMBL481022 | N-(4'-i-Propylphenyl)-6,8-dimethoxy...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C22H26NO2/c1-14(2)17-7-9-19(10-8-17)23-15(3)11-18-12-20(24-5)13-21(25-6)22(18)16(23)4/h7-14H,1-6H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160267 (CHEMBL3785533) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H32ClN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160263 (CHEMBL3786599) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccc(C)c1 Show InChI InChI=1S/C25H35N3O2/c1-5-6-7-8-9-15-26-25(29)30-22-13-14-23-21(17-22)18-27(3)24(28(23)4)20-12-10-11-19(2)16-20/h10-14,16-17,24H,5-9,15,18H2,1-4H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160260 (CHEMBL3786761) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccc(OC)c1 Show InChI InChI=1S/C25H35N3O3/c1-5-6-7-8-9-15-26-25(29)31-22-13-14-23-20(17-22)18-27(2)24(28(23)3)19-11-10-12-21(16-19)30-4/h10-14,16-17,24H,5-9,15,18H2,1-4H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160264 (CHEMBL3787432) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(C)cc1 Show InChI InChI=1S/C25H35N3O2/c1-5-6-7-8-9-16-26-25(29)30-22-14-15-23-21(17-22)18-27(3)24(28(23)4)20-12-10-19(2)11-13-20/h10-15,17,24H,5-9,16,18H2,1-4H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160259 (CHEMBL3785401) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1OC Show InChI InChI=1S/C25H35N3O3/c1-5-6-7-8-11-16-26-25(29)31-20-14-15-22-19(17-20)18-27(2)24(28(22)3)21-12-9-10-13-23(21)30-4/h9-10,12-15,17,24H,5-8,11,16,18H2,1-4H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160262 (CHEMBL3787015) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1C Show InChI InChI=1S/C25H35N3O2/c1-5-6-7-8-11-16-26-25(29)30-21-14-15-23-20(17-21)18-27(3)24(28(23)4)22-13-10-9-12-19(22)2/h9-10,12-15,17,24H,5-8,11,16,18H2,1-4H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160252 (CHEMBL3786979) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H35N3O2/c1-4-5-6-7-10-17-29-28(32)33-25-15-16-26-24(19-25)20-30(2)27(31(26)3)23-14-13-21-11-8-9-12-22(21)18-23/h8-9,11-16,18-19,27H,4-7,10,17,20H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	374	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160265 (CHEMBL3785143) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1Cl Show InChI InChI=1S/C24H32ClN3O2/c1-4-5-6-7-10-15-26-24(29)30-19-13-14-22-18(16-19)17-27(2)23(28(22)3)20-11-8-9-12-21(20)25/h8-9,11-14,16,23H,4-7,10,15,17H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	474	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160251 (CHEMBL3785766) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1c(Cl)cccc1Cl Show InChI InChI=1S/C24H31Cl2N3O2/c1-4-5-6-7-8-14-27-24(30)31-18-12-13-21-17(15-18)16-28(2)23(29(21)3)22-19(25)10-9-11-20(22)26/h9-13,15,23H,4-8,14,16H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	531	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160256 (CHEMBL3785190) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccnc1 Show InChI InChI=1S/C23H32N4O2/c1-4-5-6-7-8-14-25-23(28)29-20-11-12-21-19(15-20)17-26(2)22(27(21)3)18-10-9-13-24-16-18/h9-13,15-16,22H,4-8,14,17H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	565	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160257 (CHEMBL3787554) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccncc1 Show InChI InChI=1S/C23H32N4O2/c1-4-5-6-7-8-13-25-23(28)29-20-9-10-21-19(16-20)17-26(2)22(27(21)3)18-11-14-24-15-12-18/h9-12,14-16,22H,4-8,13,17H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	723	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50160077 (CHEMBL3785861) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cc[nH]c1 Show InChI InChI=1S/C22H32N4O2/c1-4-5-6-7-8-12-24-22(27)28-19-9-10-20-18(14-19)16-25(2)21(26(20)3)17-11-13-23-15-17/h9-11,13-15,21,23H,4-8,12,16H2,1-3H3,(H,24,27)	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	852	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160261 (CHEMBL3785495) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H35N3O3/c1-5-6-7-8-9-16-26-25(29)31-22-14-15-23-20(17-22)18-27(2)24(28(23)3)19-10-12-21(30-4)13-11-19/h10-15,17,24H,5-9,16,18H2,1-4H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	875	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50198075 (6,8-dimethoxy-1,3-dimethyl-2-(naphthalen-1-yl)isoq...) Show SMILES COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1cccc2ccccc12 |(-7.05,6.23,;-7.05,4.69,;-5.73,3.91,;-5.73,2.37,;-4.39,1.6,;-4.39,.06,;-5.72,-.72,;-3.06,2.37,;-1.72,1.61,;-1.72,.07,;-.38,2.38,;-.39,3.93,;.94,4.71,;-1.73,4.7,;-3.06,3.92,;-4.4,4.69,;.96,1.62,;2.28,2.4,;3.61,1.64,;3.62,.09,;2.29,-.69,;2.3,-2.21,;.97,-2.98,;-.36,-2.21,;-.37,-.69,;.96,.09,)| Show InChI InChI=1S/C23H22NO2/c1-15-12-18-13-19(25-3)14-22(26-4)23(18)16(2)24(15)21-11-7-9-17-8-5-6-10-20(17)21/h5-14H,1-4H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system				J Med Chem 52: 626-36 (2009) Article DOI: 10.1021/jm801084u BindingDB Entry DOI: 10.7270/Q29C6X9P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153015 ((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universita£t Curated by ChEMBL					Assay Description Inhibition of p38alpha after 1 hr by ELISA				J Nat Prod 73: 2035-41 (2010) Article DOI: 10.1021/np100523s BindingDB Entry DOI: 10.7270/Q29P31XZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50160076 (CHEMBL3787116) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C24H32FN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)	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	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160245 (CHEMBL3785462) Show SMILES CCCCCCCNC(=O)Oc1ccc2nc(ncc2c1)-c1ccccc1 Show InChI InChI=1S/C22H25N3O2/c1-2-3-4-5-9-14-23-22(26)27-19-12-13-20-18(15-19)16-24-21(25-20)17-10-7-6-8-11-17/h6-8,10-13,15-16H,2-5,9,14H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160086 (CHEMBL3786447) Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccncc1 Show InChI InChI=1S/C15H17N3O/c1-17-10-12-9-13(19)3-4-14(12)18(2)15(17)11-5-7-16-8-6-11/h3-9,15,19H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160181 (CHEMBL3786505) Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1cccc(Cl)c1 Show InChI InChI=1S/C16H17ClN2O/c1-18-10-12-9-14(20)6-7-15(12)19(2)16(18)11-4-3-5-13(17)8-11/h3-9,16,20H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50070942 ((-)-Epigallocatechin gallate | (-)-Epigallocatechi...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universita£t Curated by ChEMBL					Assay Description Inhibition of p38alpha after 1 hr by ELISA				J Nat Prod 73: 2035-41 (2010) Article DOI: 10.1021/np100523s BindingDB Entry DOI: 10.7270/Q29P31XZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160258 (CHEMBL3787268) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O2/c1-4-5-6-7-8-15-29-24(32)33-21-13-14-22-19(16-21)17-30(2)23(31(22)3)18-9-11-20(12-10-18)25(26,27)28/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160082 (CHEMBL3785481) Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1cccc2ccccc12 Show InChI InChI=1S/C20H20N2O/c1-21-13-15-12-16(23)10-11-19(15)22(2)20(21)18-9-5-7-14-6-3-4-8-17(14)18/h3-12,20,23H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160081 (CHEMBL3786666) Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1c(Cl)cccc1Cl Show InChI InChI=1S/C16H16Cl2N2O/c1-19-9-10-8-11(21)6-7-14(10)20(2)16(19)15-12(17)4-3-5-13(15)18/h3-8,16,21H,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160275 (CHEMBL3785561) Show SMILES COc1cccc(c1)C1N(C)Cc2cc(O)ccc2N1C Show InChI InChI=1S/C17H20N2O2/c1-18-11-13-9-14(20)7-8-16(13)19(2)17(18)12-5-4-6-15(10-12)21-3/h4-10,17,20H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160088 (CHEMBL3785229) Show SMILES COc1ccccc1C1N(C)Cc2cc(O)ccc2N1C Show InChI InChI=1S/C17H20N2O2/c1-18-11-12-10-13(20)8-9-15(12)19(2)17(18)14-6-4-5-7-16(14)21-3/h4-10,17,20H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50269144 (10-hydroxy-18-methoxybetaenone | CHEMBL498247) Show SMILES CCC(C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)\C=C\OC |r| Show InChI InChI=1S/C22H36O6/c1-8-13(2)16-20(5,15(23)9-10-28-7)17-14(3)11-19(4,25)12-22(17,27)18(24)21(16,6)26/h9-10,13-14,16-17,25-27H,8,11-12H2,1-7H3/b10-9+/t13?,14-,16-,17-,19-,20-,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universität Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR kinase expressed in Sf9 insect cells				J Nat Prod 63: 739-45 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FWQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50269144 (10-hydroxy-18-methoxybetaenone | CHEMBL498247) Show SMILES CCC(C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)\C=C\OC |r| Show InChI InChI=1S/C22H36O6/c1-8-13(2)16-20(5,15(23)9-10-28-7)17-14(3)11-19(4,25)12-22(17,27)18(24)21(16,6)26/h9-10,13-14,16-17,25-27H,8,11-12H2,1-7H3/b10-9+/t13?,14-,16-,17-,19-,20-,21+,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universität Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK4/cyclin D1 kinase expressed in Sf9 insect cells				J Nat Prod 63: 739-45 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FWQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50160081 (CHEMBL3786666) Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1c(Cl)cccc1Cl Show InChI InChI=1S/C16H16Cl2N2O/c1-19-9-10-8-11(21)6-7-14(10)20(2)16(19)15-12(17)4-3-5-13(15)18/h3-8,16,21H,9H2,1-2H3	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	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition measured af...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160237 (CHEMBL3785644) Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccc(Cl)cc1 Show InChI InChI=1S/C16H17ClN2O/c1-18-10-12-9-14(20)7-8-15(12)19(2)16(18)11-3-5-13(17)6-4-11/h3-9,16,20H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160270 (CHEMBL3786576) Show SMILES CN1C(N(Cc2ccccc2)Cc2cc(O)ccc12)c1ccccc1 Show InChI InChI=1S/C22H22N2O/c1-23-21-13-12-20(25)14-19(21)16-24(15-17-8-4-2-5-9-17)22(23)18-10-6-3-7-11-18/h2-14,22,25H,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair

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