Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'elkazaz' and Initial = 's'   

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))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human AChE assessed as dissociation constant using acetylthiocholine iodide as substrate incubated for 10 mins b...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human AChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using acetylthiocholine iodi...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509709 (CHEMBL4441059) Show SMILES Cl.[O-][N+](=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25N7O3/c37-36(38)23-13-11-22(12-14-23)35-18-21(32-34-35)19-39-24-15-9-20(10-16-24)17-30-33-29-25-5-1-3-7-27(25)31-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,31,33)/b30-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509718 (CHEMBL4466829) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-2-8-23(9-3-1)19-36-20-24(33-35-36)21-37-25-16-14-22(15-17-25)18-31-34-30-26-10-4-6-12-28(26)32-29-13-7-5-11-27(29)30/h1-4,6,8-10,12,14-18,20H,5,7,11,13,19,21H2,(H,32,34)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509705 (CHEMBL4444030) Show SMILES Cl.NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H27N7O3S/c30-40(37,38)24-15-11-22(12-16-24)36-18-21(33-35-36)19-39-23-13-9-20(10-14-23)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)(H2,30,37,38)/b31-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -1 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					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	40	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50509706 (CHEMBL4526428) Show SMILES Cl.Brc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25BrN6O/c30-21-11-13-23(14-12-21)36-18-22(33-35-36)19-37-24-15-9-20(10-16-24)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)/b31-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50509704 (CHEMBL4443988) Show SMILES Cl.Clc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25ClN6O/c30-21-11-13-23(14-12-21)36-18-22(33-35-36)19-37-24-15-9-20(10-16-24)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)/b31-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509710 (CHEMBL4447258) Show SMILES Cl.[O-][N+](=O)c1cccc(c1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25N7O3/c37-36(38)23-7-5-6-22(16-23)35-18-21(32-34-35)19-39-24-14-12-20(13-15-24)17-30-33-29-25-8-1-3-10-27(25)31-28-11-4-2-9-26(28)29/h1,3,5-8,10,12-18H,2,4,9,11,19H2,(H,31,33)/b30-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50509716 (CHEMBL4445026) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c1-2-8-23(9-3-1)35-19-22(32-34-35)20-36-24-16-14-21(15-17-24)18-30-33-29-25-10-4-6-12-27(25)31-28-13-7-5-11-26(28)29/h1-4,6,8-10,12,14-19H,5,7,11,13,20H2,(H,31,33)/b30-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50509701 (CHEMBL4592037) Show SMILES Cl.Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-21-10-14-24(15-11-21)36-19-23(33-35-36)20-37-25-16-12-22(13-17-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509710 (CHEMBL4447258) Show SMILES Cl.[O-][N+](=O)c1cccc(c1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25N7O3/c37-36(38)23-7-5-6-22(16-23)35-18-21(32-34-35)19-39-24-14-12-20(13-15-24)17-30-33-29-25-8-1-3-10-27(25)31-28-11-4-2-9-26(28)29/h1,3,5-8,10,12-18H,2,4,9,11,19H2,(H,31,33)/b30-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509704 (CHEMBL4443988) Show SMILES Cl.Clc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25ClN6O/c30-21-11-13-23(14-12-21)36-18-22(33-35-36)19-37-24-15-9-20(10-16-24)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)/b31-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509707 (CHEMBL4553902) Show SMILES Cl.COc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O2/c1-37-24-16-12-23(13-17-24)36-19-22(33-35-36)20-38-25-14-10-21(11-15-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50509707 (CHEMBL4553902) Show SMILES Cl.COc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O2/c1-37-24-16-12-23(13-17-24)36-19-22(33-35-36)20-38-25-14-10-21(11-15-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509701 (CHEMBL4592037) Show SMILES Cl.Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-21-10-14-24(15-11-21)36-19-23(33-35-36)20-37-25-16-12-22(13-17-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509706 (CHEMBL4526428) Show SMILES Cl.Brc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25BrN6O/c30-21-11-13-23(14-12-21)36-18-22(33-35-36)19-37-24-15-9-20(10-16-24)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)/b31-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509715 (CHEMBL4542112) Show SMILES Cl.C#CCOc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C23H21N3O/c1-2-15-27-18-13-11-17(12-14-18)16-24-26-23-19-7-3-5-9-21(19)25-22-10-6-4-8-20(22)23/h1,3,5,7,9,11-14,16H,4,6,8,10,15H2,(H,25,26)/b24-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509712 (CHEMBL4525409) Show SMILES COc1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C21H22N4OS/c1-26-15-12-10-14(11-13-15)22-21(27)25-24-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,23,24)(H2,22,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509717 (CHEMBL4557164) Show SMILES Cl.OC(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H26N6O3/c37-30(38)21-11-13-23(14-12-21)36-18-22(33-35-36)19-39-24-15-9-20(10-16-24)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)(H,37,38)/b31-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509714 (CHEMBL4459154) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H21N5O2S2/c21-29(26,27)14-11-9-13(10-12-14)22-20(28)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,21,26,27)(H2,22,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509703 (CHEMBL4435058) Show SMILES Clc1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H19ClN4S/c21-13-9-11-14(12-10-13)22-20(26)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (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 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	PDB Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50509702 (CHEMBL4435178) Show SMILES Brc1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H19BrN4S/c21-13-9-11-14(12-10-13)22-20(26)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	426	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509715 (CHEMBL4542112) Show SMILES Cl.C#CCOc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C23H21N3O/c1-2-15-27-18-13-11-17(12-14-18)16-24-26-23-19-7-3-5-9-21(19)25-22-10-6-4-8-20(22)23/h1,3,5,7,9,11-14,16H,4,6,8,10,15H2,(H,25,26)/b24-16+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	438	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509709 (CHEMBL4441059) Show SMILES Cl.[O-][N+](=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25N7O3/c37-36(38)23-13-11-22(12-14-23)35-18-21(32-34-35)19-39-24-15-9-20(10-16-24)17-30-33-29-25-5-1-3-7-27(25)31-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,31,33)/b30-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	535	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509718 (CHEMBL4466829) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-2-8-23(9-3-1)19-36-20-24(33-35-36)21-37-25-16-14-22(15-17-25)18-31-34-30-26-10-4-6-12-28(26)32-29-13-7-5-11-27(29)30/h1-4,6,8-10,12,14-18,20H,5,7,11,13,19,21H2,(H,32,34)/b31-18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	547	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509712 (CHEMBL4525409) Show SMILES COc1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C21H22N4OS/c1-26-15-12-10-14(11-13-15)22-21(27)25-24-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,23,24)(H2,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	568	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509702 (CHEMBL4435178) Show SMILES Brc1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H19BrN4S/c21-13-9-11-14(12-10-13)22-20(26)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	571	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509711 (CHEMBL4580216) Show SMILES S=C(NNc1c2CCCCc2nc2ccccc12)Nc1ccccc1 Show InChI InChI=1S/C20H20N4S/c25-20(21-14-8-2-1-3-9-14)24-23-19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-4,6,8-10,12H,5,7,11,13H2,(H,22,23)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509708 (CHEMBL4458648) Show SMILES S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N4S/c26-21(22-14-15-8-2-1-3-9-15)25-24-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,23,24)(H2,22,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	622	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509713 (CHEMBL4556651) Show SMILES C=CCNC(=S)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C17H20N4S/c1-2-11-18-17(22)21-20-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h2-3,5,7,9H,1,4,6,8,10-11H2,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	722	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50509711 (CHEMBL4580216) Show SMILES S=C(NNc1c2CCCCc2nc2ccccc12)Nc1ccccc1 Show InChI InChI=1S/C20H20N4S/c25-20(21-14-8-2-1-3-9-14)24-23-19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-4,6,8-10,12H,5,7,11,13H2,(H,22,23)(H2,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	748	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509703 (CHEMBL4435058) Show SMILES Clc1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H19ClN4S/c21-13-9-11-14(12-10-13)22-20(26)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	786	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509714 (CHEMBL4459154) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H21N5O2S2/c21-29(26,27)14-11-9-13(10-12-14)22-20(28)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,21,26,27)(H2,22,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	792	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM13066 (2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...) Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509705 (CHEMBL4444030) Show SMILES Cl.NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H27N7O3S/c30-40(37,38)24-15-11-22(12-16-24)36-18-21(33-35-36)19-39-23-13-9-20(10-14-23)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)(H2,30,37,38)/b31-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	807	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509702 (CHEMBL4435178) Show SMILES Brc1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H19BrN4S/c21-13-9-11-14(12-10-13)22-20(26)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,22,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	861	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509716 (CHEMBL4445026) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c1-2-8-23(9-3-1)35-19-22(32-34-35)20-36-24-16-14-21(15-17-24)18-30-33-29-25-10-4-6-12-27(25)31-28-13-7-5-11-26(28)29/h1-4,6,8-10,12,14-19H,5,7,11,13,20H2,(H,31,33)/b30-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509712 (CHEMBL4525409) Show SMILES COc1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C21H22N4OS/c1-26-15-12-10-14(11-13-15)22-21(27)25-24-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,23,24)(H2,22,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509716 (CHEMBL4445026) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c1-2-8-23(9-3-1)35-19-22(32-34-35)20-36-24-16-14-21(15-17-24)18-30-33-29-25-10-4-6-12-27(25)31-28-13-7-5-11-26(28)29/h1-4,6,8-10,12,14-19H,5,7,11,13,20H2,(H,31,33)/b30-18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	917	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509714 (CHEMBL4459154) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H21N5O2S2/c21-29(26,27)14-11-9-13(10-12-14)22-20(28)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,21,26,27)(H2,22,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	961	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509718 (CHEMBL4466829) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-2-8-23(9-3-1)19-36-20-24(33-35-36)21-37-25-16-14-22(15-17-25)18-31-34-30-26-10-4-6-12-28(26)32-29-13-7-5-11-27(29)30/h1-4,6,8-10,12,14-18,20H,5,7,11,13,19,21H2,(H,32,34)/b31-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
					More data for this Ligand-Target Pair

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