Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'javid' and Initial = 'a'   

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
Histone deacetylase (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500813 (CHEMBL1087690) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C26H28O6/c1-18(2)13-14-32-24-12-8-20(16-26(24)31-4)6-10-22(28)17-21(27)9-5-19-7-11-23(29)25(15-19)30-3/h5-13,15-16,29H,14,17H2,1-4H3/b9-5+,10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500810 (CHEMBL3758791) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C31H36O6/c1-22(2)7-6-8-23(3)17-18-37-29-16-12-25(20-31(29)36-5)10-14-27(33)21-26(32)13-9-24-11-15-28(34)30(19-24)35-4/h7,9-17,19-20,34H,6,8,18,21H2,1-5H3/b13-9+,14-10+,23-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500817 (CHEMBL3758432) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C41H52O6/c1-29(2)19-23-41(24-20-30(3)4,39(42)17-13-33-11-15-35(37(27-33)44-9)46-25-21-31(5)6)40(43)18-14-34-12-16-36(38(28-34)45-10)47-26-22-32(7)8/h11-22,27-28H,23-26H2,1-10H3/b17-13+,18-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500816 (CHEMBL3758656) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C51H68O6/c1-37(2)15-12-18-40(7)21-26-45(46(52)27-22-43-24-29-48(50(35-43)54-10)56-33-31-41(8)19-13-16-38(3)4)47(53)28-23-44-25-30-49(51(36-44)55-11)57-34-32-42(9)20-14-17-39(5)6/h15-17,21-25,27-32,35-36,45H,12-14,18-20,26,33-34H2,1-11H3/b27-22+,28-23+,40-21+,41-31+,42-32+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500809 (CHEMBL3759529) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C36H44O6/c1-26(2)9-7-10-27(3)11-8-12-28(4)21-22-42-34-20-16-30(24-36(34)41-6)14-18-32(38)25-31(37)17-13-29-15-19-33(39)35(23-29)40-5/h9,11,13-21,23-24,39H,7-8,10,12,22,25H2,1-6H3/b17-13+,18-14+,27-11+,28-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500815 (CHEMBL3759699) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C61H84O6/c1-45(2)19-15-23-49(9)35-39-61(40-36-50(10)24-16-20-46(3)4,59(62)33-29-53-27-31-55(57(43-53)64-13)66-41-37-51(11)25-17-21-47(5)6)60(63)34-30-54-28-32-56(58(44-54)65-14)67-42-38-52(12)26-18-22-48(7)8/h19-22,27-38,43-44H,15-18,23-26,39-42H2,1-14H3/b33-29+,34-30+,49-35+,50-36+,51-37+,52-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500812 (CHEMBL3758253) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C41H52O6/c1-30(2)11-9-13-32(5)23-25-46-38-21-17-34(27-40(38)44-7)15-19-36(42)29-37(43)20-16-35-18-22-39(41(28-35)45-8)47-26-24-33(6)14-10-12-31(3)4/h11-12,15-24,27-28H,9-10,13-14,25-26,29H2,1-8H3/b19-15+,20-16+,32-23+,33-24+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500814 (CHEMBL1087807) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C31H36O6/c1-22(2)15-17-36-28-13-9-24(19-30(28)34-5)7-11-26(32)21-27(33)12-8-25-10-14-29(31(20-25)35-6)37-18-16-23(3)4/h7-16,19-20H,17-18,21H2,1-6H3/b11-7+,12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500811 (CHEMBL3759749) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C51H68O6/c1-38(2)15-11-17-40(5)19-13-21-42(7)31-33-56-48-29-25-44(35-50(48)54-9)23-27-46(52)37-47(53)28-24-45-26-30-49(51(36-45)55-10)57-34-32-43(8)22-14-20-41(6)18-12-16-39(3)4/h15-16,19-20,23-32,35-36H,11-14,17-18,21-22,33-34,37H2,1-10H3/b27-23+,28-24+,40-19+,41-20+,42-31+,43-32+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500808 (CHEMBL3758528) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C36H44O6/c1-25(2)9-14-30(31(37)15-10-28-12-17-33(35(23-28)39-7)41-21-19-26(3)4)32(38)16-11-29-13-18-34(36(24-29)40-8)42-22-20-27(5)6/h9-13,15-20,23-24,30H,14,21-22H2,1-8H3/b15-10+,16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276068 (CHEMBL4127173) Show SMILES CC(C)Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H36O12/c1-17(2)15-22-11-13-23(14-12-22)28-30(27(38)24-9-7-8-10-25(24)43-28)45-33-32(42-21(6)37)31(41-20(5)36)29(40-19(4)35)26(44-33)16-39-18(3)34/h7-14,17,26,29,31-33H,15-16H2,1-6H3/t26-,29-,31+,32-,33+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276069 (CHEMBL4128561) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H27BrO12/c1-14(31)36-13-22-25(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(41-22)42-26-23(35)20-7-5-6-8-21(20)40-24(26)18-9-11-19(30)12-10-18/h5-12,22,25,27-29H,13H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276068 (CHEMBL4127173) Show SMILES CC(C)Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H36O12/c1-17(2)15-22-11-13-23(14-12-22)28-30(27(38)24-9-7-8-10-25(24)43-28)45-33-32(42-21(6)37)31(41-20(5)36)29(40-19(4)35)26(44-33)16-39-18(3)34/h7-14,17,26,29,31-33H,15-16H2,1-6H3/t26-,29-,31+,32-,33+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276069 (CHEMBL4128561) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H27BrO12/c1-14(31)36-13-22-25(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(41-22)42-26-23(35)20-7-5-6-8-21(20)40-24(26)18-9-11-19(30)12-10-18/h5-12,22,25,27-29H,13H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276061 (CHEMBL4127253) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2cccs2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C27H26O12S/c1-13(28)33-12-19-22(34-14(2)29)25(35-15(3)30)26(36-16(4)31)27(38-19)39-24-21(32)17-8-5-6-9-18(17)37-23(24)20-10-7-11-40-20/h5-11,19,22,25-27H,12H2,1-4H3/t19-,22-,25+,26-,27+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276067 (CHEMBL4129776) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2cccc3ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C33H30O12/c1-17(34)39-16-26-29(40-18(2)35)31(41-19(3)36)32(42-20(4)37)33(44-26)45-30-27(38)24-13-7-8-15-25(24)43-28(30)23-14-9-11-21-10-5-6-12-22(21)23/h5-15,26,29,31-33H,16H2,1-4H3/t26-,29-,31+,32-,33+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276059 (CHEMBL4126201) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C30H30O13/c1-15(31)37-14-23-26(38-16(2)32)28(39-17(3)33)29(40-18(4)34)30(42-23)43-27-24(35)21-8-6-7-9-22(21)41-25(27)19-10-12-20(36-5)13-11-19/h6-13,23,26,28-30H,14H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276070 (CHEMBL4127574) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(C)ccc3c2=O)-c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C30H29BrO12/c1-14-6-11-21-22(12-14)41-25(19-7-9-20(31)10-8-19)27(24(21)36)43-30-29(40-18(5)35)28(39-17(4)34)26(38-16(3)33)23(42-30)13-37-15(2)32/h6-12,23,26,28-30H,13H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276061 (CHEMBL4127253) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2cccs2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C27H26O12S/c1-13(28)33-12-19-22(34-14(2)29)25(35-15(3)30)26(36-16(4)31)27(38-19)39-24-21(32)17-8-5-6-9-18(17)37-23(24)20-10-7-11-40-20/h5-11,19,22,25-27H,12H2,1-4H3/t19-,22-,25+,26-,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276059 (CHEMBL4126201) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C30H30O13/c1-15(31)37-14-23-26(38-16(2)32)28(39-17(3)33)29(40-18(4)34)30(42-23)43-27-24(35)21-8-6-7-9-22(21)41-25(27)19-10-12-20(36-5)13-11-19/h6-13,23,26,28-30H,14H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276062 (CHEMBL4129855) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccc(F)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H27FO12/c1-14(31)36-13-22-25(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(41-22)42-26-23(35)20-7-5-6-8-21(20)40-24(26)18-9-11-19(30)12-10-18/h5-12,22,25,27-29H,13H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276070 (CHEMBL4127574) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(C)ccc3c2=O)-c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C30H29BrO12/c1-14-6-11-21-22(12-14)41-25(19-7-9-20(31)10-8-19)27(24(21)36)43-30-29(40-18(5)35)28(39-17(4)34)26(38-16(3)33)23(42-30)13-37-15(2)32/h6-12,23,26,28-30H,13H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276043 (CHEMBL4128409) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccccc2C(O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C30H28O14/c1-14(31)38-13-22-25(39-15(2)32)27(40-16(3)33)28(41-17(4)34)30(43-22)44-26-23(35)20-11-7-8-12-21(20)42-24(26)18-9-5-6-10-19(18)29(36)37/h5-12,22,25,27-28,30H,13H2,1-4H3,(H,36,37)/t22-,25-,27+,28-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276067 (CHEMBL4129776) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2cccc3ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C33H30O12/c1-17(34)39-16-26-29(40-18(2)35)31(41-19(3)36)32(42-20(4)37)33(44-26)45-30-27(38)24-13-7-8-15-25(24)43-28(30)23-14-9-11-21-10-5-6-12-22(21)23/h5-15,26,29,31-33H,16H2,1-4H3/t26-,29-,31+,32-,33+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276066 (CHEMBL4128492) Show SMILES CC(=O)Nc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C31H31NO13/c1-15(33)32-21-12-10-20(11-13-21)26-28(25(38)22-8-6-7-9-23(22)43-26)45-31-30(42-19(5)37)29(41-18(4)36)27(40-17(3)35)24(44-31)14-39-16(2)34/h6-13,24,27,29-31H,14H2,1-5H3,(H,32,33)/t24-,27-,29+,30-,31+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276066 (CHEMBL4128492) Show SMILES CC(=O)Nc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C31H31NO13/c1-15(33)32-21-12-10-20(11-13-21)26-28(25(38)22-8-6-7-9-23(22)43-26)45-31-30(42-19(5)37)29(41-18(4)36)27(40-17(3)35)24(44-31)14-39-16(2)34/h6-13,24,27,29-31H,14H2,1-5H3,(H,32,33)/t24-,27-,29+,30-,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276060 (CHEMBL4128639) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H28O12/c1-15(30)35-14-22-25(36-16(2)31)27(37-17(3)32)28(38-18(4)33)29(40-22)41-26-23(34)20-12-8-9-13-21(20)39-24(26)19-10-6-5-7-11-19/h5-13,22,25,27-29H,14H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276043 (CHEMBL4128409) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccccc2C(O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C30H28O14/c1-14(31)38-13-22-25(39-15(2)32)27(40-16(3)33)28(41-17(4)34)30(43-22)44-26-23(35)20-11-7-8-12-21(20)42-24(26)18-9-5-6-10-19(18)29(36)37/h5-12,22,25,27-28,30H,13H2,1-4H3,(H,36,37)/t22-,25-,27+,28-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276062 (CHEMBL4129855) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccc(F)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H27FO12/c1-14(31)36-13-22-25(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(41-22)42-26-23(35)20-7-5-6-8-21(20)40-24(26)18-9-11-19(30)12-10-18/h5-12,22,25,27-29H,13H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50500809 (CHEMBL3759529) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C36H44O6/c1-26(2)9-7-10-27(3)11-8-12-28(4)21-22-42-34-20-16-30(24-36(34)41-6)14-18-32(38)25-31(37)17-13-29-15-19-33(39)35(23-29)40-5/h9,11,13-21,23-24,39H,7-8,10,12,22,25H2,1-6H3/b17-13+,18-14+,27-11+,28-21+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276060 (CHEMBL4128639) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H28O12/c1-15(30)35-14-22-25(36-16(2)31)27(37-17(3)32)28(38-18(4)33)29(40-22)41-26-23(34)20-12-8-9-13-21(20)39-24(26)19-10-6-5-7-11-19/h5-13,22,25,27-29H,14H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50500811 (CHEMBL3759749) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C51H68O6/c1-38(2)15-11-17-40(5)19-13-21-42(7)31-33-56-48-29-25-44(35-50(48)54-9)23-27-46(52)37-47(53)28-24-45-26-30-49(51(36-45)55-10)57-34-32-43(8)22-14-20-41(6)18-12-16-39(3)4/h15-16,19-20,23-32,35-36H,11-14,17-18,21-22,33-34,37H2,1-10H3/b27-23+,28-24+,40-19+,41-20+,42-31+,43-32+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50500812 (CHEMBL3758253) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C41H52O6/c1-30(2)11-9-13-32(5)23-25-46-38-21-17-34(27-40(38)44-7)15-19-36(42)29-37(43)20-16-35-18-22-39(41(28-35)45-8)47-26-24-33(6)14-10-12-31(3)4/h11-12,15-24,27-28H,9-10,13-14,25-26,29H2,1-8H3/b19-15+,20-16+,32-23+,33-24+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50500816 (CHEMBL3758656) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C51H68O6/c1-37(2)15-12-18-40(7)21-26-45(46(52)27-22-43-24-29-48(50(35-43)54-10)56-33-31-41(8)19-13-16-38(3)4)47(53)28-23-44-25-30-49(51(36-44)55-11)57-34-32-42(9)20-14-17-39(5)6/h15-17,21-25,27-32,35-36,45H,12-14,18-20,26,33-34H2,1-11H3/b27-22+,28-23+,40-21+,41-31+,42-32+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50500814 (CHEMBL1087807) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C31H36O6/c1-22(2)15-17-36-28-13-9-24(19-30(28)34-5)7-11-26(32)21-27(33)12-8-25-10-14-29(31(20-25)35-6)37-18-16-23(3)4/h7-16,19-20H,17-18,21H2,1-6H3/b11-7+,12-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50500810 (CHEMBL3758791) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C31H36O6/c1-22(2)7-6-8-23(3)17-18-37-29-16-12-25(20-31(29)36-5)10-14-27(33)21-26(32)13-9-24-11-15-28(34)30(19-24)35-4/h7,9-17,19-20,34H,6,8,18,21H2,1-5H3/b13-9+,14-10+,23-17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50500815 (CHEMBL3759699) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C61H84O6/c1-45(2)19-15-23-49(9)35-39-61(40-36-50(10)24-16-20-46(3)4,59(62)33-29-53-27-31-55(57(43-53)64-13)66-41-37-51(11)25-17-21-47(5)6)60(63)34-30-54-28-32-56(58(44-54)65-14)67-42-38-52(12)26-18-22-48(7)8/h19-22,27-38,43-44H,15-18,23-26,39-42H2,1-14H3/b33-29+,34-30+,49-35+,50-36+,51-37+,52-38+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.86E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50500813 (CHEMBL1087690) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C26H28O6/c1-18(2)13-14-32-24-12-8-20(16-26(24)31-4)6-10-22(28)17-21(27)9-5-19-7-11-23(29)25(15-19)30-3/h5-13,15-16,29H,14,17H2,1-4H3/b9-5+,10-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.62E+6	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair