Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'ansari' and Initial = 'fl'   

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
Cholinesterase (Homo sapiens (Human))	BDBM50015606 (CHEMBL3260556) Show SMILES CCSc1ccccc1-c1cnc([nH]1)-c1ccsc1 Show InChI InChI=1S/C15H14N2S2/c1-2-19-14-6-4-3-5-12(14)13-9-16-15(17-13)11-7-8-18-10-11/h3-10H,2H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					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	500	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272839 (2-(Thien-2''-yl)-4-(3'-hydroxyphenyl)-2,3-dihydro-...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1cccs1 |t:8| Show InChI InChI=1S/C19H15NOS2/c21-14-6-3-5-13(11-14)16-12-19(18-9-4-10-22-18)23-17-8-2-1-7-15(17)20-16/h1-11,19,21H,12H2	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	3.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272839 (2-(Thien-2''-yl)-4-(3'-hydroxyphenyl)-2,3-dihydro-...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1cccs1 |t:8| Show InChI InChI=1S/C19H15NOS2/c21-14-6-3-5-13(11-14)16-12-19(18-9-4-10-22-18)23-17-8-2-1-7-15(17)20-16/h1-11,19,21H,12H2	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	3.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015614 (CHEMBL3260200) Show SMILES Oc1ccc(cc1)C1=Nc2ccccc2SC(C1)c1cccs1 |t:8| Show InChI InChI=1S/C19H15NOS2/c21-14-9-7-13(8-10-14)16-12-19(18-6-3-11-22-18)23-17-5-2-1-4-15(17)20-16/h1-11,19,21H,12H2	PDB MMDB 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	3.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272762 (2-(2''-Methoxyphenyl)-4-(3'-hydroxyphenyl)-2,3-dih...) Show SMILES COc1ccccc1C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:11| Show InChI InChI=1S/C22H19NO2S/c1-25-20-11-4-2-9-17(20)22-14-19(15-7-6-8-16(24)13-15)23-18-10-3-5-12-21(18)26-22/h2-13,22,24H,14H2,1H3	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	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272762 (2-(2''-Methoxyphenyl)-4-(3'-hydroxyphenyl)-2,3-dih...) Show SMILES COc1ccccc1C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:11| Show InChI InChI=1S/C22H19NO2S/c1-25-20-11-4-2-9-17(20)22-14-19(15-7-6-8-16(24)13-15)23-18-10-3-5-12-21(18)26-22/h2-13,22,24H,14H2,1H3	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	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272761 (2-(3''-Hydroxyphenyl)-4-(3'-hydroxyphenyl)-2,3-dih...) Show SMILES Oc1cccc(c1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:10| Show InChI InChI=1S/C21H17NO2S/c23-16-7-3-5-14(11-16)19-13-21(15-6-4-8-17(24)12-15)25-20-10-2-1-9-18(20)22-19/h1-12,21,23-24H,13H2	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	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015615 (CHEMBL3260201) Show SMILES Oc1ccc(cc1)C1=Nc2ccccc2SC(C1)c1cccc(O)c1 |t:8| Show InChI InChI=1S/C21H17NO2S/c23-16-10-8-14(9-11-16)19-13-21(15-4-3-5-17(24)12-15)25-20-7-2-1-6-18(20)22-19/h1-12,21,23-24H,13H2	PDB MMDB 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	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50272839 (2-(Thien-2''-yl)-4-(3'-hydroxyphenyl)-2,3-dihydro-...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1cccs1 |t:8| Show InChI InChI=1S/C19H15NOS2/c21-14-6-3-5-13(11-14)16-12-19(18-9-4-10-22-18)23-17-8-2-1-7-15(17)20-16/h1-11,19,21H,12H2	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	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015616 (CHEMBL3260553) Show SMILES C1C(Sc2ccccc2N=C1c1ccccc1)c1cccs1 |c:10| Show InChI InChI=1S/C19H15NS2/c1-2-7-14(8-3-1)16-13-19(18-11-6-12-21-18)22-17-10-5-4-9-15(17)20-16/h1-12,19H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015607 ((E)-1-(2-hydroxyphenyl)-3-(2-hydroxyphenyl)-2-prop...) Show SMILES Oc1ccccc1\C=C\C(=O)c1ccccc1O Show InChI InChI=1S/C15H12O3/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,16-17H/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015629 (CHEMBL2237298) Show SMILES Cc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccccc1O |c:10| Show InChI InChI=1S/C22H19NOS/c1-15-10-12-16(13-11-15)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)25-22/h2-13,22,24H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015628 (CHEMBL2237295) Show SMILES Oc1ccccc1C1=Nc2ccccc2SC(C1)c1ccc(F)cc1 |t:8| Show InChI InChI=1S/C21H16FNOS/c22-15-11-9-14(10-12-15)21-13-18(16-5-1-3-7-19(16)24)23-17-6-2-4-8-20(17)25-21/h1-12,21,24H,13H2	PDB MMDB 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	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50272613 (2-(4''-Chlorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C21H16ClNOS/c22-16-10-8-14(9-11-16)21-13-19(15-4-3-5-17(24)12-15)23-18-6-1-2-7-20(18)25-21/h1-12,21,24H,13H2	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	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM91642 (Dihydro-1,5-benzothiazepine analog, 4) Show SMILES Oc1ccccc1C1=Nc2ccccc2SC(C1)c1ccc(OC=O)c(OC=O)c1 |t:8| Show InChI InChI=1S/C23H17NO5S/c25-13-28-20-10-9-15(11-21(20)29-14-26)23-12-18(16-5-1-3-7-19(16)27)24-17-6-2-4-8-22(17)30-23/h1-11,13-14,23,27H,12H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description In vitro inhibition assay using jack bean urease.				J Enzyme Inhib Med Chem 24: 151-6 (2009) Article DOI: 10.1080/14756360801945598 BindingDB Entry DOI: 10.7270/Q29022CX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015630 (CHEMBL3260554) Show SMILES Cc1ccc(C2CC(=Nc3ccccc3S2)c2cccc(O)c2)c(C)c1 |c:7| Show InChI InChI=1S/C23H21NOS/c1-15-10-11-19(16(2)12-15)23-14-21(17-6-5-7-18(25)13-17)24-20-8-3-4-9-22(20)26-23/h3-13,23,25H,14H2,1-2H3	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	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272875 (2-(3'',4''-Dimethoxyphenyl)-4-(3'-hydroxyphenyl)-2...) Show SMILES COc1ccc(cc1OC)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:13| Show InChI InChI=1S/C23H21NO3S/c1-26-20-11-10-16(13-21(20)27-2)23-14-19(15-6-5-7-17(25)12-15)24-18-8-3-4-9-22(18)28-23/h3-13,23,25H,14H2,1-2H3	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	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50229993 (2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...) Show SMILES NC(N)=S Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description In vitro inhibition assay using jack bean urease.				J Enzyme Inhib Med Chem 24: 151-6 (2009) Article DOI: 10.1080/14756360801945598 BindingDB Entry DOI: 10.7270/Q29022CX
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM91641 (Dihydro-1,5-benzothiazepine analog, 3) Show SMILES Cc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccccc1 |c:10| Show InChI InChI=1S/C22H19NS/c1-16-11-13-18(14-12-16)22-15-20(17-7-3-2-4-8-17)23-19-9-5-6-10-21(19)24-22/h2-14,22H,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description In vitro inhibition assay using jack bean urease.				J Enzyme Inhib Med Chem 24: 151-6 (2009) Article DOI: 10.1080/14756360801945598 BindingDB Entry DOI: 10.7270/Q29022CX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015631 (CHEMBL2236848) Show SMILES Nc1ccc(cc1)C(=O)\C=C\c1ccccc1Br Show InChI InChI=1S/C15H12BrNO/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10H,17H2/b10-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM91640 (Dihydro-1,5-benzothiazepine analog, 2) Show SMILES C1C(Sc2ccccc2N=C1c1ccccc1)c1ccccc1 |c:10| Show InChI InChI=1S/C21H17NS/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)23-20-14-8-7-13-18(20)22-19/h1-14,21H,15H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description In vitro inhibition assay using jack bean urease.				J Enzyme Inhib Med Chem 24: 151-6 (2009) Article DOI: 10.1080/14756360801945598 BindingDB Entry DOI: 10.7270/Q29022CX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM94616 ((E)-3-(2-methoxyphenyl)-1-phenyl-2-propen-1-one | ...) Show SMILES COc1ccccc1\C=C\C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O2/c1-18-16-10-6-5-9-14(16)11-12-15(17)13-7-3-2-4-8-13/h2-12H,1H3/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272612 (2-(3''-Chlorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1cccc(Cl)c1 |t:8| Show InChI InChI=1S/C21H16ClNOS/c22-16-7-3-6-15(11-16)21-13-19(14-5-4-8-17(24)12-14)23-18-9-1-2-10-20(18)25-21/h1-12,21,24H,13H2	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	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272612 (2-(3''-Chlorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1cccc(Cl)c1 |t:8| Show InChI InChI=1S/C21H16ClNOS/c22-16-7-3-6-15(11-16)21-13-19(14-5-4-8-17(24)12-14)23-18-9-1-2-10-20(18)25-21/h1-12,21,24H,13H2	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	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM33383 (phenylpropenone, 3-21) Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50440653 (CHEMBL318170) Show SMILES COc1cccc(\C=C\C(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14O2/c1-18-15-9-5-6-13(12-15)10-11-16(17)14-7-3-2-4-8-14/h2-12H,1H3/b11-10+	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	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM91639 (Chalcone analog, 1) Show SMILES Oc1ccccc1C(=O)\C=C\c1ccc(OC=O)c(OC=O)c1 Show InChI InChI=1S/C17H12O6/c18-10-22-16-8-6-12(9-17(16)23-11-19)5-7-15(21)13-3-1-2-4-14(13)20/h1-11,20H/b7-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description In vitro inhibition assay using jack bean urease.				J Enzyme Inhib Med Chem 24: 151-6 (2009) Article DOI: 10.1080/14756360801945598 BindingDB Entry DOI: 10.7270/Q29022CX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272802 (2-(4''-N,N-Dimethylamino)-4-(3'-hydroxyphenyl)-2,3...) Show SMILES CN(C)c1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:12| Show InChI InChI=1S/C23H22N2OS/c1-25(2)18-12-10-16(11-13-18)23-15-21(17-6-5-7-19(26)14-17)24-20-8-3-4-9-22(20)27-23/h3-14,23,26H,15H2,1-2H3	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	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272802 (2-(4''-N,N-Dimethylamino)-4-(3'-hydroxyphenyl)-2,3...) Show SMILES CN(C)c1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:12| Show InChI InChI=1S/C23H22N2OS/c1-25(2)18-12-10-16(11-13-18)23-15-21(17-6-5-7-19(26)14-17)24-20-8-3-4-9-22(20)27-23/h3-14,23,26H,15H2,1-2H3	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	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM91643 (Dihydro-1,5-benzothiazepine analog, 5) Show SMILES O=N(=O)c1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccccc1 |c:12| Show InChI InChI=1S/C21H16N2O2S/c24-23(25)17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)22-18-8-4-5-9-20(18)26-21/h1-13,21H,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description In vitro inhibition assay using jack bean urease.				J Enzyme Inhib Med Chem 24: 151-6 (2009) Article DOI: 10.1080/14756360801945598 BindingDB Entry DOI: 10.7270/Q29022CX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50273276 (2-(Phenyl)-4-(3'-hydroxyphenyl)-2,3-dihydro-1,5-be...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccccc1 |t:8| Show InChI InChI=1S/C21H17NOS/c23-17-10-6-9-16(13-17)19-14-21(15-7-2-1-3-8-15)24-20-12-5-4-11-18(20)22-19/h1-13,21,23H,14H2	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015632 (CHEMBL3260177) Show SMILES Clc1ccccc1-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C14H10ClN3/c15-12-8-4-5-9-14(12)18-10-13(16-17-18)11-6-2-1-3-7-11/h1-10H	PDB MMDB 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	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM86005 (Chalcone, 4) Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015633 (CHEMBL3260180) Show SMILES OC1(CCCCC1)c1cn(nn1)-c1ccc(cc1C#N)[N+]([O-])=O Show InChI InChI=1S/C15H15N5O3/c16-9-11-8-12(20(22)23)4-5-13(11)19-10-14(17-18-19)15(21)6-2-1-3-7-15/h4-5,8,10,21H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015634 (CHEMBL3260182) Show SMILES CCCCCCCCc1ccc(cc1)-n1cc(nn1)C1(O)CCCCC1 Show InChI InChI=1S/C22H33N3O/c1-2-3-4-5-6-8-11-19-12-14-20(15-13-19)25-18-21(23-24-25)22(26)16-9-7-10-17-22/h12-15,18,26H,2-11,16-17H2,1H3	PDB MMDB 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	4.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50272801 (2-(4''-Methylphenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Cc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:10| Show InChI InChI=1S/C22H19NOS/c1-15-9-11-16(12-10-15)22-14-20(17-5-4-6-18(24)13-17)23-19-7-2-3-8-21(19)25-22/h2-13,22,24H,14H2,1H3	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	4.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015635 (CHEMBL3260555) Show SMILES Oc1ccccc1C1=Nc2ccccc2SC(C1)c1ccc(cc1)[N+]([O-])=O |t:8| Show InChI InChI=1S/C21H16N2O3S/c24-19-7-3-1-5-16(19)18-13-21(14-9-11-15(12-10-14)23(25)26)27-20-8-4-2-6-17(20)22-18/h1-12,21,24H,13H2	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	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015636 (CHEMBL2237293) Show SMILES Oc1ccccc1C1=Nc2ccccc2SC(C1)c1ccccc1 |t:8| Show InChI InChI=1S/C21H17NOS/c23-19-12-6-4-10-16(19)18-14-21(15-8-2-1-3-9-15)24-20-13-7-5-11-17(20)22-18/h1-13,21,23H,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015637 (CHEMBL3260186) Show SMILES Cc1ccc(c(Cl)c1)-n1cc(nn1)C1(O)CCCCC1 Show InChI InChI=1S/C15H18ClN3O/c1-11-5-6-13(12(16)9-11)19-10-14(17-18-19)15(20)7-3-2-4-8-15/h5-6,9-10,20H,2-4,7-8H2,1H3	PDB MMDB 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	6.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50272614 (2-(2''-Fluorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccccc1F |t:8| Show InChI InChI=1S/C21H16FNOS/c22-17-9-2-1-8-16(17)21-13-19(14-6-5-7-15(24)12-14)23-18-10-3-4-11-20(18)25-21/h1-12,21,24H,13H2	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	7.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50272761 (2-(3''-Hydroxyphenyl)-4-(3'-hydroxyphenyl)-2,3-dih...) Show SMILES Oc1cccc(c1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:10| Show InChI InChI=1S/C21H17NO2S/c23-16-7-3-5-14(11-16)19-13-21(15-6-4-8-17(24)12-15)25-20-10-2-1-9-18(20)22-19/h1-12,21,23-24H,13H2	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	7.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272801 (2-(4''-Methylphenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Cc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:10| Show InChI InChI=1S/C22H19NOS/c1-15-9-11-16(12-10-15)22-14-20(17-5-4-6-18(24)13-17)23-19-7-2-3-8-21(19)25-22/h2-13,22,24H,14H2,1H3	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	7.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272801 (2-(4''-Methylphenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Cc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:10| Show InChI InChI=1S/C22H19NOS/c1-15-9-11-16(12-10-15)22-14-20(17-5-4-6-18(24)13-17)23-19-7-2-3-8-21(19)25-22/h2-13,22,24H,14H2,1H3	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	7.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272613 (2-(4''-Chlorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C21H16ClNOS/c22-16-10-8-14(9-11-16)21-13-19(15-4-3-5-17(24)12-15)23-18-6-1-2-7-20(18)25-21/h1-12,21,24H,13H2	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	7.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50272613 (2-(4''-Chlorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C21H16ClNOS/c22-16-10-8-14(9-11-16)21-13-19(15-4-3-5-17(24)12-15)23-18-6-1-2-7-20(18)25-21/h1-12,21,24H,13H2	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	7.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of BchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50015638 (CHEMBL3260190) Show SMILES COc1cccc(c1)-n1cc(nn1)C1(O)CCCCC1 Show InChI InChI=1S/C15H19N3O2/c1-20-13-7-5-6-12(10-13)18-11-14(16-17-18)15(19)8-3-2-4-9-15/h5-7,10-11,19H,2-4,8-9H2,1H3	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	8.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM86007 (Chalcone, 6) Show SMILES Oc1ccccc1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair

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