Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'nowrouzi' and Initial = 'n'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147785 (CHEMBL3764376) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccc(F)cc23)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:18| Show InChI InChI=1S/C16H13FN6O3/c17-8-2-3-11-9(6-8)16(15(24)21-11)10(7-18)13(19)22-5-1-4-20-14(22)12(16)23(25)26/h2-3,6,20H,1,4-5,19H2,(H,21,24)	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	420	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB NCI pathway 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	DrugBank PDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147774 (CHEMBL3764305) Show SMILES [H][C@]12CC(O)CC[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r| Show InChI InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12?,14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147768 (CHEMBL3764100) Show SMILES Cc1ccc2NC(=O)C3(c2c1)C(C#N)=C(N)N1CCCNC1=C3[N+]([O-])=O |c:24,t:15| Show InChI InChI=1S/C17H16N6O3/c1-9-3-4-12-10(7-9)17(16(24)21-12)11(8-18)14(19)22-6-2-5-20-15(22)13(17)23(25)26/h3-4,7,20H,2,5-6,19H2,1H3,(H,21,24)	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	940	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147772 (CHEMBL3763203) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccccc23)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:17| Show InChI InChI=1S/C16H14N6O3/c17-8-10-13(18)21-7-3-6-19-14(21)12(22(24)25)16(10)9-4-1-2-5-11(9)20-15(16)23/h1-2,4-5,19H,3,6-7,18H2,(H,20,23)	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	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147775 (CHEMBL3763232) Show SMILES CC1(C)CNC2=C([N+]([O-])=O)C3(C(=O)Nc4ccc(F)cc34)C(C#N)=C(N)N2C1 |c:5,t:25| Show InChI InChI=1S/C18H17FN6O3/c1-17(2)7-22-15-13(25(27)28)18(11(6-20)14(21)24(15)8-17)10-5-9(19)3-4-12(10)23-16(18)26/h3-5,22H,7-8,21H2,1-2H3,(H,23,26)	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	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147796 (CHEMBL3765697) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccc(cc23)[N+]([O-])=O)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:20| Show InChI InChI=1S/C16H13N7O5/c17-7-10-13(18)21-5-1-4-19-14(21)12(23(27)28)16(10)9-6-8(22(25)26)2-3-11(9)20-15(16)24/h2-3,6,19H,1,4-5,18H2,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	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	DrugBank Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147771 (CHEMBL3763778) Show SMILES CC1(C)CNC2=C([N+]([O-])=O)C3(C(=O)Nc4ccccc34)C(C#N)=C(N)N2C1 |c:5,t:24| Show InChI InChI=1S/C18H18N6O3/c1-17(2)8-21-15-13(24(26)27)18(11(7-19)14(20)23(15)9-17)10-5-3-4-6-12(10)22-16(18)25/h3-6,21H,8-9,20H2,1-2H3,(H,22,25)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147885 (CHEMBL3765093) Show SMILES Cc1ccc2NC(=O)C3(c2c1)C(C#N)=C(N)N1CC(C)(C)CNC1=C3[N+]([O-])=O |c:26,t:15| Show InChI InChI=1S/C19H20N6O3/c1-10-4-5-13-11(6-10)19(17(26)23-13)12(7-20)15(21)24-9-18(2,3)8-22-16(24)14(19)25(27)28/h4-6,22H,8-9,21H2,1-3H3,(H,23,26)	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	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147794 (CHEMBL3763820) Show SMILES CC1(C)CNC2=C([N+]([O-])=O)C3(C(=O)Nc4ccc(cc34)[N+]([O-])=O)C(C#N)=C(N)N2C1 |c:5,t:27| Show InChI InChI=1S/C18H17N7O5/c1-17(2)7-21-15-13(25(29)30)18(11(6-19)14(20)23(15)8-17)10-5-9(24(27)28)3-4-12(10)22-16(18)26/h3-5,21H,7-8,20H2,1-2H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147827 (CHEMBL3765569) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccc(cc23)[N+]([O-])=O)C(=C2NCCN12)[N+]([O-])=O |c:1,t:20| Show InChI InChI=1S/C15H11N7O5/c16-6-9-12(17)20-4-3-18-13(20)11(22(26)27)15(9)8-5-7(21(24)25)1-2-10(8)19-14(15)23/h1-2,5,18H,3-4,17H2,(H,19,23)	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	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147786 (CHEMBL3763609) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccc(F)cc23)C(=C2NCCN12)[N+]([O-])=O |c:1,t:18| Show InChI InChI=1S/C15H11FN6O3/c16-7-1-2-10-8(5-7)15(14(23)20-10)9(6-17)12(18)21-4-3-19-13(21)11(15)22(24)25/h1-2,5,19H,3-4,18H2,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147787 (CHEMBL3765476) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccc(cc23)[N+]([O-])=O)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:20| Show InChI InChI=1S/C27H21N7O5/c28-14-21-24(29)32(16-18-9-5-2-6-10-18)25(30-15-17-7-3-1-4-8-17)23(34(38)39)27(21)20-13-19(33(36)37)11-12-22(20)31-26(27)35/h1-13,30H,15-16,29H2,(H,31,35)	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	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147776 (CHEMBL3763973) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccc(F)cc23)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:18| Show InChI InChI=1S/C27H21FN6O3/c28-19-11-12-22-20(13-19)27(26(35)32-22)21(14-29)24(30)33(16-18-9-5-2-6-10-18)25(23(27)34(36)37)31-15-17-7-3-1-4-8-17/h1-13,31H,15-16,30H2,(H,32,35)	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	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236974 (CHEMBL4073501) Show SMILES CC1(C)CNC2=C([N+]([O-])=O)C3(c4ccccc4-c4nc5ccc(cc5nc34)[N+]([O-])=O)C(C#N)=C(N)N2C1 |c:5,t:36| Show InChI InChI=1S/C25H20N8O4/c1-24(2)11-28-23-21(33(36)37)25(16(10-26)22(27)31(23)12-24)15-6-4-3-5-14(15)19-20(25)30-18-9-13(32(34)35)7-8-17(18)29-19/h3-9,28H,11-12,27H2,1-2H3	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	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147882 (CHEMBL3763482) Show SMILES Cc1ccc2NC(=O)C3(c2c1)C(C#N)=C(N)N(Cc1ccccc1)C(NCc1ccccc1)=C3[N+]([O-])=O |c:36,t:15| Show InChI InChI=1S/C28H24N6O3/c1-18-12-13-23-21(14-18)28(27(35)32-23)22(15-29)25(30)33(17-20-10-6-3-7-11-20)26(24(28)34(36)37)31-16-19-8-4-2-5-9-19/h2-14,31H,16-17,30H2,1H3,(H,32,35)	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	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147769 (CHEMBL3764679) Show SMILES Cc1ccc2NC(=O)C3(c2c1)C(C#N)=C(N)N1CCNC1=C3[N+]([O-])=O |c:23,t:15| Show InChI InChI=1S/C16H14N6O3/c1-8-2-3-11-9(6-8)16(15(23)20-11)10(7-17)13(18)21-5-4-19-14(21)12(16)22(24)25/h2-3,6,19H,4-5,18H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236975 (CHEMBL4092602) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccc(cc4nc23)[N+]([O-])=O)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:29| Show InChI InChI=1S/C23H16N8O4/c24-11-15-21(25)29-9-3-8-26-22(29)20(31(34)35)23(15)14-5-2-1-4-13(14)18-19(23)28-17-10-12(30(32)33)6-7-16(17)27-18/h1-2,4-7,10,26H,3,8-9,25H2	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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147770 (CHEMBL3765496) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccccc23)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:17| Show InChI InChI=1S/C27H22N6O3/c28-15-21-24(29)32(17-19-11-5-2-6-12-19)25(30-16-18-9-3-1-4-10-18)23(33(35)36)27(21)20-13-7-8-14-22(20)31-26(27)34/h1-14,30H,16-17,29H2,(H,31,34)	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	3.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236973 (CHEMBL4100338) Show SMILES Cc1cc2nc3-c4ccccc4C4(c3nc2cc1C)C(C#N)=C(N)N1CC(C)(C)CNC1=C4[N+]([O-])=O |c:36,t:25| Show InChI InChI=1S/C27H25N7O2/c1-14-9-19-20(10-15(14)2)32-22-21(31-19)16-7-5-6-8-17(16)27(22)18(11-28)24(29)33-13-26(3,4)12-30-25(33)23(27)34(35)36/h5-10,30H,12-13,29H2,1-4H3	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236708 (CHEMBL4070769) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccccc4nc23)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:26| Show InChI InChI=1S/C23H17N7O2/c24-12-15-21(25)29-11-5-10-26-22(29)20(30(31)32)23(15)14-7-2-1-6-13(14)18-19(23)28-17-9-4-3-8-16(17)27-18/h1-4,6-9,26H,5,10-11,25H2	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236979 (CHEMBL4064904) Show SMILES CC1(C)CNC2=C([N+]([O-])=O)C3(c4ccccc4-c4nc5ccccc5nc34)C(C#N)=C(N)N2C1 |c:5,t:33| Show InChI InChI=1S/C25H21N7O2/c1-24(2)12-28-23-21(32(33)34)25(16(11-26)22(27)31(23)13-24)15-8-4-3-7-14(15)19-20(25)30-18-10-6-5-9-17(18)29-19/h3-10,28H,12-13,27H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236976 (CHEMBL4060800) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccc(cc4nc23)[N+]([O-])=O)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:29| Show InChI InChI=1S/C34H24N8O4/c35-18-26-32(36)40(20-22-11-5-2-6-12-22)33(37-19-21-9-3-1-4-10-21)31(42(45)46)34(26)25-14-8-7-13-24(25)29-30(34)39-28-17-23(41(43)44)15-16-27(28)38-29/h1-17,37H,19-20,36H2	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147773 (CHEMBL3765162) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccccc23)C(=C2NCCN12)[N+]([O-])=O |c:1,t:17| Show InChI InChI=1S/C15H12N6O3/c16-7-9-12(17)20-6-5-18-13(20)11(21(23)24)15(9)8-3-1-2-4-10(8)19-14(15)22/h1-4,18H,5-6,17H2,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236971 (CHEMBL4074566) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccccc4nc23)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:26| Show InChI InChI=1S/C34H25N7O2/c35-19-26-32(36)40(21-23-13-5-2-6-14-23)33(37-20-22-11-3-1-4-12-22)31(41(42)43)34(26)25-16-8-7-15-24(25)29-30(34)39-28-18-10-9-17-27(28)38-29/h1-18,37H,20-21,36H2	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	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236978 (CHEMBL4091651) Show SMILES Cc1cc2nc3-c4ccccc4C4(c3nc2cc1C)C(C#N)=C(N)N1CCCNC1=C4[N+]([O-])=O |c:34,t:25| Show InChI InChI=1S/C25H21N7O2/c1-13-10-18-19(11-14(13)2)30-21-20(29-18)15-6-3-4-7-16(15)25(21)17(12-26)23(27)31-9-5-8-28-24(31)22(25)32(33)34/h3-4,6-7,10-11,28H,5,8-9,27H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236972 (CHEMBL4095032) Show SMILES Cc1cc2nc3-c4ccccc4C4(c3nc2cc1C)C(C#N)=C(N)N(Cc1ccccc1)C(NCc1ccccc1)=C4[N+]([O-])=O |c:46,t:25| Show InChI InChI=1S/C36H29N7O2/c1-22-17-29-30(18-23(22)2)41-32-31(40-29)26-15-9-10-16-27(26)36(32)28(19-37)34(38)42(21-25-13-7-4-8-14-25)35(33(36)43(44)45)39-20-24-11-5-3-6-12-24/h3-18,39H,20-21,38H2,1-2H3	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	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147780 (CHEMBL3763417) Show SMILES NC1=C(C#N)C2(C(=O)c3cccc4cccc2c34)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:21| Show InChI InChI=1S/C31H23N5O3/c32-17-25-29(33)35(19-21-11-5-2-6-12-21)30(34-18-20-9-3-1-4-10-20)27(36(38)39)31(25)24-16-8-14-22-13-7-15-23(26(22)24)28(31)37/h1-16,34H,18-19,33H2	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	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147783 (CHEMBL3763832) Show SMILES CC1(C)CNC2=C([N+]([O-])=O)C3(C(=O)c4ccc(Br)c5c(Br)ccc3c45)C(C#N)=C(N)N2C1 |c:5,t:30| Show InChI InChI=1S/C22H17Br2N5O3/c1-21(2)8-27-20-17(29(31)32)22(12(7-25)19(26)28(20)9-21)11-4-6-14(24)16-13(23)5-3-10(15(11)16)18(22)30/h3-6,27H,8-9,26H2,1-2H3	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	5.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50147774 (CHEMBL3764305) Show SMILES [H][C@]12CC(O)CC[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r| Show InChI InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12?,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147784 (CHEMBL3765098) Show SMILES NC1=C(C#N)C2(C(=O)c3ccc(Br)c4c(Br)ccc2c34)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:23| Show InChI InChI=1S/C31H21Br2N5O3/c32-23-13-11-20-25-21(12-14-24(33)26(23)25)31(28(20)39)22(15-34)29(35)37(17-19-9-5-2-6-10-19)30(27(31)38(40)41)36-16-18-7-3-1-4-8-18/h1-14,36H,16-17,35H2	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	6.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147781 (CHEMBL3764065) Show SMILES NC1=C(C#N)C2(C(=O)c3ccc(Br)c4c(Br)ccc2c34)C(=C2NCCN12)[N+]([O-])=O |c:1,t:23| Show InChI InChI=1S/C19H11Br2N5O3/c20-11-3-1-8-13-9(2-4-12(21)14(11)13)19(16(8)27)10(7-22)17(23)25-6-5-24-18(25)15(19)26(28)29/h1-4,24H,5-6,23H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236706 (CHEMBL4099598) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccccc4nc23)C(=C2NCCN12)[N+]([O-])=O |c:1,t:26| Show InChI InChI=1S/C22H15N7O2/c23-11-14-20(24)28-10-9-25-21(28)19(29(30)31)22(14)13-6-2-1-5-12(13)17-18(22)27-16-8-4-3-7-15(16)26-17/h1-8,25H,9-10,24H2	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	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236977 (CHEMBL4083875) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccc(cc4nc23)[N+]([O-])=O)C(=C2NCCN12)[N+]([O-])=O |c:1,t:29| Show InChI InChI=1S/C22H14N8O4/c23-10-14-20(24)28-8-7-25-21(28)19(30(33)34)22(14)13-4-2-1-3-12(13)17-18(22)27-16-9-11(29(31)32)5-6-15(16)26-17/h1-6,9,25H,7-8,24H2	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	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147778 (CHEMBL3764900) Show SMILES NC1=C(C#N)C2(C(=O)c3cccc4cccc2c34)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:21| Show InChI InChI=1S/C20H15N5O3/c21-10-14-18(22)24-9-3-8-23-19(24)16(25(27)28)20(14)13-7-2-5-11-4-1-6-12(15(11)13)17(20)26/h1-2,4-7,23H,3,8-9,22H2	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	6.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50236707 (CHEMBL4062146) Show SMILES Cc1cc2nc3-c4ccccc4C4(c3nc2cc1C)C(C#N)=C(N)N1CCNC1=C4[N+]([O-])=O |c:33,t:25| Show InChI InChI=1S/C24H19N7O2/c1-12-9-17-18(10-13(12)2)29-20-19(28-17)14-5-3-4-6-15(14)24(20)16(11-25)22(26)30-8-7-27-23(30)21(24)31(32)33/h3-6,9-10,27H,7-8,26H2,1-2H3	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	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by E...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147782 (CHEMBL3764488) Show SMILES NC1=C(C#N)C2(C(=O)c3ccc(Br)c4c(Br)ccc2c34)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:23| Show InChI InChI=1S/C20H13Br2N5O3/c21-12-4-2-9-14-10(3-5-13(22)15(12)14)20(17(9)28)11(8-23)18(24)26-7-1-6-25-19(26)16(20)27(29)30/h2-5,25H,1,6-7,24H2	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	6.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147777 (CHEMBL3764433) Show SMILES NC1=C(C#N)C2(C(=O)c3cccc4cccc2c34)C(=C2NCCN12)[N+]([O-])=O |c:1,t:21| Show InChI InChI=1S/C19H13N5O3/c20-9-13-17(21)23-8-7-22-18(23)15(24(26)27)19(13)12-6-2-4-10-3-1-5-11(14(10)12)16(19)25/h1-6,22H,7-8,21H2	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	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236707 (CHEMBL4062146) Show SMILES Cc1cc2nc3-c4ccccc4C4(c3nc2cc1C)C(C#N)=C(N)N1CCNC1=C4[N+]([O-])=O |c:33,t:25| Show InChI InChI=1S/C24H19N7O2/c1-12-9-17-18(10-13(12)2)29-20-19(28-17)14-5-3-4-6-15(14)24(20)16(11-25)22(26)30-8-7-27-23(30)21(24)31(32)33/h3-6,9-10,27H,7-8,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50147779 (CHEMBL3764714) Show SMILES CC1(C)CNC2=C([N+]([O-])=O)C3(C(=O)c4cccc5cccc3c45)C(C#N)=C(N)N2C1 |c:5,t:28| Show InChI InChI=1S/C22H19N5O3/c1-21(2)10-25-20-17(27(29)30)22(15(9-23)19(24)26(20)11-21)14-8-4-6-12-5-3-7-13(16(12)14)18(22)28/h3-8,25H,10-11,24H2,1-2H3	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	7.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236706 (CHEMBL4099598) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccccc4nc23)C(=C2NCCN12)[N+]([O-])=O |c:1,t:26| Show InChI InChI=1S/C22H15N7O2/c23-11-14-20(24)28-10-9-25-21(28)19(29(30)31)22(14)13-6-2-1-5-12(13)17-18(22)27-16-8-4-3-7-15(16)26-17/h1-8,25H,9-10,24H2	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	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236971 (CHEMBL4074566) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccccc4nc23)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:26| Show InChI InChI=1S/C34H25N7O2/c35-19-26-32(36)40(21-23-13-5-2-6-14-23)33(37-20-22-11-3-1-4-12-22)31(41(42)43)34(26)25-16-8-7-15-24(25)29-30(34)39-28-18-10-9-17-27(28)38-29/h1-18,37H,20-21,36H2	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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236973 (CHEMBL4100338) Show SMILES Cc1cc2nc3-c4ccccc4C4(c3nc2cc1C)C(C#N)=C(N)N1CC(C)(C)CNC1=C4[N+]([O-])=O |c:36,t:25| Show InChI InChI=1S/C27H25N7O2/c1-14-9-19-20(10-15(14)2)32-22-21(31-19)16-7-5-6-8-17(16)27(22)18(11-28)24(29)33-13-26(3,4)12-30-25(33)23(27)34(35)36/h5-10,30H,12-13,29H2,1-4H3	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	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236972 (CHEMBL4095032) Show SMILES Cc1cc2nc3-c4ccccc4C4(c3nc2cc1C)C(C#N)=C(N)N(Cc1ccccc1)C(NCc1ccccc1)=C4[N+]([O-])=O |c:46,t:25| Show InChI InChI=1S/C36H29N7O2/c1-22-17-29-30(18-23(22)2)41-32-31(40-29)26-15-9-10-16-27(26)36(32)28(19-37)34(38)42(21-25-13-7-4-8-14-25)35(33(36)43(44)45)39-20-24-11-5-3-6-12-24/h3-18,39H,20-21,38H2,1-2H3	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	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50147772 (CHEMBL3763203) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccccc23)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:17| Show InChI InChI=1S/C16H14N6O3/c17-8-10-13(18)21-7-3-6-19-14(21)12(22(24)25)16(10)9-4-1-2-5-11(9)20-15(16)23/h1-2,4-5,19H,3,6-7,18H2,(H,20,23)	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	8.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236976 (CHEMBL4060800) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccc(cc4nc23)[N+]([O-])=O)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:29| Show InChI InChI=1S/C34H24N8O4/c35-18-26-32(36)40(20-22-11-5-2-6-12-22)33(37-19-21-9-3-1-4-10-21)31(42(45)46)34(26)25-14-8-7-13-24(25)29-30(34)39-28-17-23(41(43)44)15-16-27(28)38-29/h1-17,37H,19-20,36H2	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	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236978 (CHEMBL4091651) Show SMILES Cc1cc2nc3-c4ccccc4C4(c3nc2cc1C)C(C#N)=C(N)N1CCCNC1=C4[N+]([O-])=O |c:34,t:25| Show InChI InChI=1S/C25H21N7O2/c1-13-10-18-19(11-14(13)2)30-21-20(29-18)15-6-3-4-7-16(15)25(21)17(12-26)23(27)31-9-5-8-28-24(31)22(25)32(33)34/h3-4,6-7,10-11,28H,5,8-9,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236977 (CHEMBL4083875) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccc(cc4nc23)[N+]([O-])=O)C(=C2NCCN12)[N+]([O-])=O |c:1,t:29| Show InChI InChI=1S/C22H14N8O4/c23-10-14-20(24)28-8-7-25-21(28)19(30(33)34)22(14)13-4-2-1-3-12(13)17-18(22)27-16-9-11(29(31)32)5-6-15(16)26-17/h1-6,9,25H,7-8,24H2	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	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50236975 (CHEMBL4092602) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccc(cc4nc23)[N+]([O-])=O)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:29| Show InChI InChI=1S/C23H16N8O4/c24-11-15-21(25)29-9-3-8-26-22(29)20(31(34)35)23(15)14-5-2-1-4-13(14)18-19(23)28-17-10-12(30(32)33)6-7-16(17)27-18/h1-2,4-7,10,26H,3,8-9,25H2	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	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
					More data for this Ligand-Target Pair

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