Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'xi' and Initial = 'my'   

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
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144204 (CHEMBL63989 | [4-(2-Chloro-4,6-dimethoxy-phenyl)-p...) Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(Cl)cc(OC)cc1OC Show InChI InChI=1S/C22H28ClN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144191 (CHEMBL61954 | Dicyclopropylmethyl-[4-(2,4-dimethox...) Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1c(C)cc(OC)cc1OC |(15.35,-8.38,;15.35,-6.84,;14.01,-6.08,;13.99,-4.54,;15.32,-3.75,;15.32,-2.21,;16.09,-.87,;14.55,-.89,;16.67,-4.52,;17.44,-5.85,;18.2,-4.52,;12.66,-3.77,;12.65,-2.22,;11.3,-1.46,;9.97,-2.23,;8.64,-1.47,;9.98,-3.77,;11.32,-4.54,;8.66,-4.54,;8.66,-6.1,;9.99,-6.87,;7.32,-6.87,;5.99,-6.1,;4.65,-6.86,;4.65,-8.4,;5.99,-4.56,;7.32,-3.77,;7.32,-2.25,;5.97,-1.48,)| Show InChI InChI=1S/C24H33N3O2/c1-6-11-27(23(17-7-8-17)18-9-10-18)24-25-14-16(3)22(26-24)21-15(2)12-19(28-4)13-20(21)29-5/h12-14,17-18,23H,6-11H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144193 (CHEMBL65484 | Dicyclopropylmethyl-propyl-[4-(2,4,6...) Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC Show InChI InChI=1S/C23H31N3O3/c1-5-12-26(22(15-6-7-15)16-8-9-16)23-24-11-10-18(25-23)21-19(28-3)13-17(27-2)14-20(21)29-4/h10-11,13-16,22H,5-9,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144194 (CHEMBL293627 | Dicyclopropylmethyl-[4-(2,4-dimetho...) Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(OC)cc1OC Show InChI InChI=1S/C23H31N3O2/c1-5-12-26(22(16-6-7-16)17-8-9-17)23-24-14-15(2)21(25-23)19-11-10-18(27-3)13-20(19)28-4/h10-11,13-14,16-17,22H,5-9,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144196 (CHEMBL63029 | [4-(4-Bromo-phenyl)-5-methyl-pyrimid...) Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H26BrN3/c1-3-12-25(20(16-4-5-16)17-6-7-17)21-23-13-14(2)19(24-21)15-8-10-18(22)11-9-15/h8-11,13,16-17,20H,3-7,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144200 (CHEMBL63457 | Dicyclopropylmethyl-[4-(2-fluoro-4,6...) Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(F)cc(OC)cc1OC Show InChI InChI=1S/C22H28FN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144197 (CHEMBL66249 | [4-(4-Bromo-2-methyl-phenyl)-5-methy...) Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(Br)cc1C Show InChI InChI=1S/C22H28BrN3/c1-4-11-26(21(16-5-6-16)17-7-8-17)22-24-13-15(3)20(25-22)19-10-9-18(23)12-14(19)2/h9-10,12-13,16-17,21H,4-8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144203 (Allyl-dicyclopropylmethyl-[4-(2,4,6-trimethoxy-phe...) Show SMILES COc1cc(OC)c(c(OC)c1)-c1ccnc(n1)N(CC=C)C(C1CC1)C1CC1 Show InChI InChI=1S/C23H29N3O3/c1-5-12-26(22(15-6-7-15)16-8-9-16)23-24-11-10-18(25-23)21-19(28-3)13-17(27-2)14-20(21)29-4/h5,10-11,13-16,22H,1,6-9,12H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144202 (((R)-Cyclopropyl-phenyl-methyl)-propyl-[4-(2,4,6-t...) Show SMILES CCCN([C@H](C1CC1)c1ccccc1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC Show InChI InChI=1S/C26H31N3O3/c1-5-15-29(25(19-11-12-19)18-9-7-6-8-10-18)26-27-14-13-21(28-26)24-22(31-3)16-20(30-2)17-23(24)32-4/h6-10,13-14,16-17,19,25H,5,11-12,15H2,1-4H3/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144192 (CHEMBL291657 | [4-(4-Bromo-phenyl)-5,6-dimethyl-py...) Show SMILES COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1 Show InChI InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144190 (CHEMBL302396 | Propyl-(1-thiophen-2-yl-cyclopropyl...) Show SMILES CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1cccs1 Show InChI InChI=1S/C23H27N3O3S/c1-5-12-26(23(9-10-23)20-7-6-13-30-20)22-24-11-8-17(25-22)21-18(28-3)14-16(27-2)15-19(21)29-4/h6-8,11,13-15H,5,9-10,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144201 (CHEMBL305354 | Dicyclopropylmethyl-[4-(2,4-dimetho...) Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1ccc(OC)cc1OC Show InChI InChI=1S/C22H29N3O2/c1-4-13-25(21(15-5-6-15)16-7-8-16)22-23-12-11-19(24-22)18-10-9-17(26-2)14-20(18)27-3/h9-12,14-16,21H,4-8,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144199 ((1-Furan-3-yl-cyclopropyl)-propyl-[4-(2,4,6-trimet...) Show SMILES CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1ccoc1 Show InChI InChI=1S/C23H27N3O4/c1-5-11-26(23(8-9-23)16-7-12-30-15-16)22-24-10-6-18(25-22)21-19(28-3)13-17(27-2)14-20(21)29-4/h6-7,10,12-15H,5,8-9,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144195 (CHEMBL63585 | Dicyclopropylmethyl-[4-(2,4-dimethox...) Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(CC)c(n1)-c1ccc(OC)cc1OC Show InChI InChI=1S/C24H33N3O2/c1-5-13-27(23(17-7-8-17)18-9-10-18)24-25-15-16(6-2)22(26-24)20-12-11-19(28-3)14-21(20)29-4/h11-12,14-15,17-18,23H,5-10,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144198 (CHEMBL305583 | Propyl-(1-thiophen-3-yl-cyclopropyl...) Show SMILES CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1ccsc1 Show InChI InChI=1S/C23H27N3O3S/c1-5-11-26(23(8-9-23)16-7-12-30-15-16)22-24-10-6-18(25-22)21-19(28-3)13-17(27-2)14-20(21)29-4/h6-7,10,12-15H,5,8-9,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50144189 (CHEMBL65979 | Cyclopentyl-propyl-[4-(2,4,6-trimeth...) Show SMILES CCCN(C1CCCC1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC Show InChI InChI=1S/C21H29N3O3/c1-5-12-24(15-8-6-7-9-15)21-22-11-10-17(23-21)20-18(26-3)13-16(25-2)14-19(20)27-4/h10-11,13-15H,5-9,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells				Bioorg Med Chem Lett 14: 2083-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.053 BindingDB Entry DOI: 10.7270/Q2JH3KKJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50531233 (CHEMBL4540346) Show SMILES [H][C@@]12CCC[N@+]1([O-])CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO3/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11,19)9-7-13(15)20-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13+,15+,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531233 (CHEMBL4540346) Show SMILES [H][C@@]12CCC[N@+]1([O-])CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO3/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11,19)9-7-13(15)20-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13+,15+,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531235 (CHEBI:22 | CHEMBL484848) Show SMILES [H][C@]12CCCN1CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531235 (CHEBI:22 | CHEMBL484848) Show SMILES [H][C@]12CCCN1CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531228 (CHEMBL4468856) Show SMILES Cc1cccc2OC3CCN4CCCC4=C3C(=O)c12 |c:15| Show InChI InChI=1S/C16H17NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,13H,3,5,7-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531228 (CHEMBL4468856) Show SMILES Cc1cccc2OC3CCN4CCCC4=C3C(=O)c12 |c:15| Show InChI InChI=1S/C16H17NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,13H,3,5,7-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531229 (CHEMBL4534725) Show SMILES Cc1cccc2OC(CCCNCCCO)CC(=O)c12 Show InChI InChI=1S/C16H23NO3/c1-12-5-2-7-15-16(12)14(19)11-13(20-15)6-3-8-17-9-4-10-18/h2,5,7,13,17-18H,3-4,6,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531230 (CHEMBL4548238) Show SMILES [H][C@@]12CCC(=O)N1CC[C@]1([H])Oc3cccc(C)c3C(=O)[C@@]21[H] |r| Show InChI InChI=1S/C16H17NO3/c1-9-3-2-4-11-14(9)16(19)15-10-5-6-13(18)17(10)8-7-12(15)20-11/h2-4,10,12,15H,5-8H2,1H3/t10-,12-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531231 (CHEMBL4440797) Show SMILES [H][C@]12CC[C@@H](CC(=O)c3c(C)cccc3O)N1CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C25H27NO4/c1-14-5-3-7-18(27)22(14)19(28)13-16-9-10-17-24-21(11-12-26(16)17)30-20-8-4-6-15(2)23(20)25(24)29/h3-8,16-17,21,24,27H,9-13H2,1-2H3/t16-,17+,21+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531232 (CHEMBL4435030) Show SMILES [H][C@]12CC[C@@H](CC(=O)c3c(C)cccc3O)N1CC[C@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C25H27NO4/c1-14-5-3-7-18(27)22(14)19(28)13-16-9-10-17-24-21(11-12-26(16)17)30-20-8-4-6-15(2)23(20)25(24)29/h3-8,16-17,21,24,27H,9-13H2,1-2H3/t16-,17+,21-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531234 (CHEMBL4440414) Show SMILES [H][C@]12CCC[N@@+]1([O-])CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO3/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11,19)9-7-13(15)20-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531236 (CHEMBL4591389) Show SMILES [H][C@]12CCC[N@+]1([O-])CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO3/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11,19)9-7-13(15)20-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531237 (CHEMBL4552158) Show SMILES [H][C@@]12CC[C@H](CC(=O)c3c(C)cccc3O)N1CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@@]21[H] |r| Show InChI InChI=1S/C25H27NO4/c1-14-5-3-7-18(27)22(14)19(28)13-16-9-10-17-24-21(11-12-26(16)17)30-20-8-4-6-15(2)23(20)25(24)29/h3-8,16-17,21,24,27H,9-13H2,1-2H3/t16-,17+,21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531237 (CHEMBL4552158) Show SMILES [H][C@@]12CC[C@H](CC(=O)c3c(C)cccc3O)N1CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@@]21[H] |r| Show InChI InChI=1S/C25H27NO4/c1-14-5-3-7-18(27)22(14)19(28)13-16-9-10-17-24-21(11-12-26(16)17)30-20-8-4-6-15(2)23(20)25(24)29/h3-8,16-17,21,24,27H,9-13H2,1-2H3/t16-,17+,21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531238 (CHEMBL4584910) Show SMILES [H][C@]12CCC(=O)N1CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H17NO3/c1-9-3-2-4-11-14(9)16(19)15-10-5-6-13(18)17(10)8-7-12(15)20-11/h2-4,10,12,15H,5-8H2,1H3/t10-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531231 (CHEMBL4440797) Show SMILES [H][C@]12CC[C@@H](CC(=O)c3c(C)cccc3O)N1CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C25H27NO4/c1-14-5-3-7-18(27)22(14)19(28)13-16-9-10-17-24-21(11-12-26(16)17)30-20-8-4-6-15(2)23(20)25(24)29/h3-8,16-17,21,24,27H,9-13H2,1-2H3/t16-,17+,21+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531229 (CHEMBL4534725) Show SMILES Cc1cccc2OC(CCCNCCCO)CC(=O)c12 Show InChI InChI=1S/C16H23NO3/c1-12-5-2-7-15-16(12)14(19)11-13(20-15)6-3-8-17-9-4-10-18/h2,5,7,13,17-18H,3-4,6,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531234 (CHEMBL4440414) Show SMILES [H][C@]12CCC[N@@+]1([O-])CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO3/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11,19)9-7-13(15)20-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531239 (Isoelaeocarpine) Show SMILES [H][C@]12CCCN1CC[C@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13+,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531240 (CHEMBL4533104) Show SMILES [H][C@]12CCC(=O)N1CC[C@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H17NO3/c1-9-3-2-4-11-14(9)16(19)15-10-5-6-13(18)17(10)8-7-12(15)20-11/h2-4,10,12,15H,5-8H2,1H3/t10-,12+,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531241 (CHEMBL4534205) Show SMILES Cc1cccc(O)c1C(=O)CC1CCCN1CCCO Show InChI InChI=1S/C16H23NO3/c1-12-5-2-7-14(19)16(12)15(20)11-13-6-3-8-17(13)9-4-10-18/h2,5,7,13,18-19H,3-4,6,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531238 (CHEMBL4584910) Show SMILES [H][C@]12CCC(=O)N1CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H17NO3/c1-9-3-2-4-11-14(9)16(19)15-10-5-6-13(18)17(10)8-7-12(15)20-11/h2-4,10,12,15H,5-8H2,1H3/t10-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531241 (CHEMBL4534205) Show SMILES Cc1cccc(O)c1C(=O)CC1CCCN1CCCO Show InChI InChI=1S/C16H23NO3/c1-12-5-2-7-14(19)16(12)15(20)11-13-6-3-8-17(13)9-4-10-18/h2,5,7,13,18-19H,3-4,6,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531232 (CHEMBL4435030) Show SMILES [H][C@]12CC[C@@H](CC(=O)c3c(C)cccc3O)N1CC[C@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C25H27NO4/c1-14-5-3-7-18(27)22(14)19(28)13-16-9-10-17-24-21(11-12-26(16)17)30-20-8-4-6-15(2)23(20)25(24)29/h3-8,16-17,21,24,27H,9-13H2,1-2H3/t16-,17+,21-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531240 (CHEMBL4533104) Show SMILES [H][C@]12CCC(=O)N1CC[C@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H17NO3/c1-9-3-2-4-11-14(9)16(19)15-10-5-6-13(18)17(10)8-7-12(15)20-11/h2-4,10,12,15H,5-8H2,1H3/t10-,12+,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531239 (Isoelaeocarpine) Show SMILES [H][C@]12CCCN1CC[C@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13+,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531230 (CHEMBL4548238) Show SMILES [H][C@@]12CCC(=O)N1CC[C@]1([H])Oc3cccc(C)c3C(=O)[C@@]21[H] |r| Show InChI InChI=1S/C16H17NO3/c1-9-3-2-4-11-14(9)16(19)15-10-5-6-13(18)17(10)8-7-12(15)20-11/h2-4,10,12,15H,5-8H2,1H3/t10-,12-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50531236 (CHEMBL4591389) Show SMILES [H][C@]12CCC[N@+]1([O-])CC[C@@]1([H])Oc3cccc(C)c3C(=O)[C@]21[H] |r| Show InChI InChI=1S/C16H19NO3/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11,19)9-7-13(15)20-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and meas...				J Nat Prod 82: 3221-3226 (2019) Article DOI: 10.1021/acs.jnatprod.8b01027 BindingDB Entry DOI: 10.7270/Q2T72MXS
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50006930 (CHEMBL3237244) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C67H81N11O23S/c1-31(2)23-45(57(68)91)74-62(96)47(25-34-9-7-6-8-10-34)75-58(92)42(17-20-52(83)84)71-51(82)30-69-64(98)56(33(5)79)78-60(94)44(19-22-54(87)88)72-59(93)43(18-21-53(85)86)73-63(97)48(29-55(89)90)76-61(95)46(24-32(3)4)77-66(102)70-35-11-14-39-38(26-35)65(99)101-67(39)40-15-12-36(80)27-49(40)100-50-28-37(81)13-16-41(50)67/h6-16,26-28,31-33,42-48,56,79-81H,17-25,29-30H2,1-5H3,(H2,68,91)(H,69,98)(H,71,82)(H,72,93)(H,73,97)(H,74,96)(H,75,92)(H,76,95)(H,78,94)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H2,70,77,102)/t33-,42+,43+,44+,45+,46+,47+,48+,56+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Keap1 DC domain (unknown origin) by biolayer interferometry assay				J Med Chem 57: 2736-45 (2014) Article DOI: 10.1021/jm5000529 BindingDB Entry DOI: 10.7270/Q2X3500X
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50493520 (CHEMBL2431315) Show SMILES O=C(\C=C1/NCC2N(CCc3ccccc23)C1=O)c1ccccc1 Show InChI InChI=1S/C20H18N2O2/c23-19(15-7-2-1-3-8-15)12-17-20(24)22-11-10-14-6-4-5-9-16(14)18(22)13-21-17/h1-9,12,18,21H,10-11,13H2/b17-12-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Induction of Nrf2-mediated ARE activity in human HepG2-ARE-C8 cells after 12 hrs by luciferase reporter gene assay				J Med Chem 56: 7925-38 (2013) Article DOI: 10.1021/jm400944k BindingDB Entry DOI: 10.7270/Q2Z322KJ
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50006932 (CHEMBL3237245) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Keap1 DC domain (unknown origin) by biolayer interferometry assay				J Med Chem 57: 2736-45 (2014) Article DOI: 10.1021/jm5000529 BindingDB Entry DOI: 10.7270/Q2X3500X
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50006930 (CHEMBL3237244) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C67H81N11O23S/c1-31(2)23-45(57(68)91)74-62(96)47(25-34-9-7-6-8-10-34)75-58(92)42(17-20-52(83)84)71-51(82)30-69-64(98)56(33(5)79)78-60(94)44(19-22-54(87)88)72-59(93)43(18-21-53(85)86)73-63(97)48(29-55(89)90)76-61(95)46(24-32(3)4)77-66(102)70-35-11-14-39-38(26-35)65(99)101-67(39)40-15-12-36(80)27-49(40)100-50-28-37(81)13-16-41(50)67/h6-16,26-28,31-33,42-48,56,79-81H,17-25,29-30H2,1-5H3,(H2,68,91)(H,69,98)(H,71,82)(H,72,93)(H,73,97)(H,74,96)(H,75,92)(H,76,95)(H,78,94)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H2,70,77,102)/t33-,42+,43+,44+,45+,46+,47+,48+,56+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human Keap1 Kelch domain (321 to 609) expressed in Escherichia coli BL21(DE3)pLysS cells after 30 mins by fluorescenc...				J Med Chem 57: 2736-45 (2014) Article DOI: 10.1021/jm5000529 BindingDB Entry DOI: 10.7270/Q2X3500X
					More data for this Ligand-Target Pair

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