Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'peixoto' and Initial = 'd'   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118114 (CHEMBL3612230) Show SMILES Fc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1 Show InChI InChI=1S/C20H14FN3OS2/c21-13-4-6-14(7-5-13)23-20(25)24-15-2-1-3-16(12-15)27-18-8-10-22-17-9-11-26-19(17)18/h1-12H,(H2,23,24,25)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118116 (CHEMBL3612232) Show SMILES Cc1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1 Show InChI InChI=1S/C21H17N3OS2/c1-14-4-2-5-15(12-14)23-21(25)24-16-6-3-7-17(13-16)27-19-8-10-22-18-9-11-26-20(18)19/h2-13H,1H3,(H2,23,24,25)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118117 (CHEMBL3612233) Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1 Show InChI InChI=1S/C21H14F3N3OS2/c22-21(23,24)13-3-1-4-14(11-13)26-20(28)27-15-5-2-6-16(12-15)30-18-7-9-25-17-8-10-29-19(17)18/h1-12H,(H2,26,27,28)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118118 (CHEMBL3612234) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)ccc1Cl Show InChI InChI=1S/C21H13ClF3N3OS2/c22-16-5-4-13(11-15(16)21(23,24)25)28-20(29)27-12-2-1-3-14(10-12)31-18-6-8-26-17-7-9-30-19(17)18/h1-11H,(H2,27,28,29)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118115 (CHEMBL3612231) Show SMILES Fc1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1 Show InChI InChI=1S/C20H14FN3OS2/c21-13-3-1-4-14(11-13)23-20(25)24-15-5-2-6-16(12-15)27-18-7-9-22-17-8-10-26-19(17)18/h1-12H,(H2,23,24,25)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 after 1.5 to 2 hrs by TR-FRET assay				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118127 (CHEMBL3612227) Show SMILES O=C(Nc1ccccc1)Nc1cccc(Sc2ccnc3ccsc23)c1 Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-5-2-1-3-6-14)23-15-7-4-8-16(13-15)26-18-9-11-21-17-10-12-25-19(17)18/h1-13H,(H2,22,23,24)	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	94	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118128 (CHEMBL3612228) Show SMILES COc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1 Show InChI InChI=1S/C21H17N3O2S2/c1-26-16-7-5-14(6-8-16)23-21(25)24-15-3-2-4-17(13-15)28-19-9-11-22-18-10-12-27-20(18)19/h2-13H,1H3,(H2,23,24,25)	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	107	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118113 (CHEMBL3612229) Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(Sc2ccnc3ccsc23)c1 Show InChI InChI=1S/C21H14N4OS2/c22-13-14-4-6-15(7-5-14)24-21(26)25-16-2-1-3-17(12-16)28-19-8-10-23-18-9-11-27-20(18)19/h1-12H,(H2,24,25,26)	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	206	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118122 (CHEMBL3612325) Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)c1 Show InChI InChI=1S/C21H14F3N3OS2/c22-21(23,24)13-2-1-3-15(12-13)27-20(28)26-14-4-6-16(7-5-14)30-18-8-10-25-17-9-11-29-19(17)18/h1-12H,(H2,26,27,28)	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	988	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118119 (CHEMBL3612235) Show SMILES O=C(Nc1ccccc1)Nc1ccc(Sc2ccnc3ccsc23)cc1 Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-4-2-1-3-5-14)23-15-6-8-16(9-7-15)26-18-10-12-21-17-11-13-25-19(17)18/h1-13H,(H2,22,23,24)	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	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118120 (CHEMBL3612323) Show SMILES COc1ccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)cc1 Show InChI InChI=1S/C21H17N3O2S2/c1-26-16-6-2-14(3-7-16)23-21(25)24-15-4-8-17(9-5-15)28-19-10-12-22-18-11-13-27-20(18)19/h2-13H,1H3,(H2,23,24,25)	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	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118123 (CHEMBL3612326) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)ccc1Cl Show InChI InChI=1S/C21H13ClF3N3OS2/c22-16-6-3-13(11-15(16)21(23,24)25)28-20(29)27-12-1-4-14(5-2-12)31-18-7-9-26-17-8-10-30-19(17)18/h1-11H,(H2,27,28,29)	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	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118121 (CHEMBL3612324) Show SMILES O=C(Nc1ccc(Sc2ccnc3ccsc23)cc1)Nc1ccc(cc1)C#N Show InChI InChI=1S/C21H14N4OS2/c22-13-14-1-3-15(4-2-14)24-21(26)25-16-5-7-17(8-6-16)28-19-9-11-23-18-10-12-27-20(18)19/h1-12H,(H2,24,25,26)	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	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM192007 (Isoquinolin-1(2H)-ones, 1f) Show SMILES COC1CNC(=O)c2ccccc12 Show InChI InChI=1S/C10H11NO2/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9/h2-5,9H,6H2,1H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118126 (CHEMBL3612226) Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1ccccc1Sc1ccnc2ccsc12 Show InChI InChI=1S/C21H14N4OS2/c22-13-14-5-7-15(8-6-14)24-21(26)25-16-3-1-2-4-18(16)28-19-9-11-23-17-10-12-27-20(17)19/h1-12H,(H2,24,25,26)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118124 (CHEMBL3612224) Show SMILES O=C(Nc1ccccc1)Nc1ccccc1Sc1ccnc2ccsc12 Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-6-2-1-3-7-14)23-15-8-4-5-9-17(15)26-18-10-12-21-16-11-13-25-19(16)18/h1-13H,(H2,22,23,24)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50118125 (CHEMBL3612225) Show SMILES COc1ccc(NC(=O)Nc2ccccc2Sc2ccnc3ccsc23)cc1 Show InChI InChI=1S/C21H17N3O2S2/c1-26-15-8-6-14(7-9-15)23-21(25)24-16-4-2-3-5-18(16)28-19-10-12-22-17-11-13-27-20(17)19/h2-13H,1H3,(H2,23,24,25)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP				Bioorg Med Chem 23: 6497-509 (2015) Article DOI: 10.1016/j.bmc.2015.08.010 BindingDB Entry DOI: 10.7270/Q27946G5
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM191998 (Isoquinolin-1(2H)-ones, 2b) Show SMILES Cc1ccc2C(O)CCNC(=O)c2c1 Show InChI InChI=1S/C11H13NO2/c1-7-2-3-8-9(6-7)11(14)12-5-4-10(8)13/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM191997 (Isoquinolin-1(2H)-ones, 2a) Show SMILES OC1CCNC(=O)c2ccccc12 Show InChI InChI=1S/C10H11NO2/c12-9-5-6-11-10(13)8-4-2-1-3-7(8)9/h1-4,9,12H,5-6H2,(H,11,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM192000 (Isoquinolin-1(2H)-ones, 2d) Show SMILES COc1ccc2C(O)CCNC(=O)c2c1 Show InChI InChI=1S/C11H13NO3/c1-15-7-2-3-8-9(6-7)11(14)12-5-4-10(8)13/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM191992 (Isoquinolin-1(2H)-ones, 1a) Show SMILES OC1CNC(=O)c2ccccc12 Show InChI InChI=1S/C9H9NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-4,8,11H,5H2,(H,10,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM192007 (Isoquinolin-1(2H)-ones, 1f) Show SMILES COC1CNC(=O)c2ccccc12 Show InChI InChI=1S/C10H11NO2/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9/h2-5,9H,6H2,1H3,(H,11,12)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM191995 (Isoquinolin-1(2H)-ones, 1d) Show SMILES OC1CNC(=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C9H8ClNO2/c10-5-1-2-6-7(3-5)8(12)4-11-9(6)13/h1-3,8,12H,4H2,(H,11,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM191999 (Isoquinolin-1(2H)-ones, 2c) Show SMILES Cc1ccc2c(c1)C(O)CCNC2=O Show InChI InChI=1S/C11H13NO2/c1-7-2-3-8-9(6-7)10(13)4-5-12-11(8)14/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM191997 (Isoquinolin-1(2H)-ones, 2a) Show SMILES OC1CCNC(=O)c2ccccc12 Show InChI InChI=1S/C10H11NO2/c12-9-5-6-11-10(13)8-4-2-1-3-7(8)9/h1-4,9,12H,5-6H2,(H,11,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM191996 (Isoquinolin-1(2H)-ones, 1e) Show SMILES COc1ccc2C(O)CNC(=O)c2c1 Show InChI InChI=1S/C10H11NO3/c1-14-6-2-3-7-8(4-6)10(13)11-5-9(7)12/h2-4,9,12H,5H2,1H3,(H,11,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM191993 (Isoquinolin-1(2H)-ones, 1b) Show SMILES Cc1ccc2C(O)CNC(=O)c2c1 Show InChI InChI=1S/C10H11NO2/c1-6-2-3-7-8(4-6)10(13)11-5-9(7)12/h2-4,9,12H,5H2,1H3,(H,11,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM191998 (Isoquinolin-1(2H)-ones, 2b) Show SMILES Cc1ccc2C(O)CCNC(=O)c2c1 Show InChI InChI=1S/C11H13NO2/c1-7-2-3-8-9(6-7)11(14)12-5-4-10(8)13/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM192003 (Isoquinolin-1(2H)-ones, 4a) Show SMILES OC1CCNC(=O)c2cccnc12 Show InChI InChI=1S/C9H10N2O2/c12-7-3-5-11-9(13)6-2-1-4-10-8(6)7/h1-2,4,7,12H,3,5H2,(H,11,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM191999 (Isoquinolin-1(2H)-ones, 2c) Show SMILES Cc1ccc2c(c1)C(O)CCNC2=O Show InChI InChI=1S/C11H13NO2/c1-7-2-3-8-9(6-7)10(13)4-5-12-11(8)14/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM192000 (Isoquinolin-1(2H)-ones, 2d) Show SMILES COc1ccc2C(O)CCNC(=O)c2c1 Show InChI InChI=1S/C11H13NO3/c1-15-7-2-3-8-9(6-7)11(14)12-5-4-10(8)13/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM192006 (Isoquinolin-1(2H)-ones, 6) Show SMILES OC1CCNC(=O)c2sccc12 Show InChI InChI=1S/C8H9NO2S/c10-6-1-3-9-8(11)7-5(6)2-4-12-7/h2,4,6,10H,1,3H2,(H,9,11)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM191992 (Isoquinolin-1(2H)-ones, 1a) Show SMILES OC1CNC(=O)c2ccccc12 Show InChI InChI=1S/C9H9NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-4,8,11H,5H2,(H,10,12)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM192006 (Isoquinolin-1(2H)-ones, 6) Show SMILES OC1CCNC(=O)c2sccc12 Show InChI InChI=1S/C8H9NO2S/c10-6-1-3-9-8(11)7-5(6)2-4-12-7/h2,4,6,10H,1,3H2,(H,9,11)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM192002 (Isoquinolin-1(2H)-ones, 3b) Show SMILES Cc1ccc2C(=O)NCC(O)c2n1 Show InChI InChI=1S/C9H10N2O2/c1-5-2-3-6-8(11-5)7(12)4-10-9(6)13/h2-3,7,12H,4H2,1H3,(H,10,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM192001 (Isoquinolin-1(2H)-ones, 3a) Show SMILES OC1CNC(=O)c2cccnc12 Show InChI InChI=1S/C8H8N2O2/c11-6-4-10-8(12)5-2-1-3-9-7(5)6/h1-3,6,11H,4H2,(H,10,12)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM192005 (Isoquinolin-1(2H)-ones, 5) Show SMILES OC1CNC(=O)c2sccc12 Show InChI InChI=1S/C7H7NO2S/c9-5-3-8-7(10)6-4(5)1-2-11-6/h1-2,5,9H,3H2,(H,8,10)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM191993 (Isoquinolin-1(2H)-ones, 1b) Show SMILES Cc1ccc2C(O)CNC(=O)c2c1 Show InChI InChI=1S/C10H11NO2/c1-6-2-3-7-8(4-6)10(13)11-5-9(7)12/h2-4,9,12H,5H2,1H3,(H,11,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM191994 (Isoquinolin-1(2H)-ones, 1c) Show SMILES Cc1ccc2C(=O)NCC(O)c2c1 Show InChI InChI=1S/C10H11NO2/c1-6-2-3-7-8(4-6)9(12)5-11-10(7)13/h2-4,9,12H,5H2,1H3,(H,11,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM191995 (Isoquinolin-1(2H)-ones, 1d) Show SMILES OC1CNC(=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C9H8ClNO2/c10-5-1-2-6-7(3-5)8(12)4-11-9(6)13/h1-3,8,12H,4H2,(H,11,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM192004 (Isoquinolin-1(2H)-ones, 4b) Show SMILES Cc1ccc2c(n1)C(O)CCNC2=O Show InChI InChI=1S/C10H12N2O2/c1-6-2-3-7-9(12-6)8(13)4-5-11-10(7)14/h2-3,8,13H,4-5H2,1H3,(H,11,14)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method desc...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM191994 (Isoquinolin-1(2H)-ones, 1c) Show SMILES Cc1ccc2C(=O)NCC(O)c2c1 Show InChI InChI=1S/C10H11NO2/c1-6-2-3-7-8(4-6)9(12)5-11-10(7)13/h2-4,9,12H,5H2,1H3,(H,11,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM191996 (Isoquinolin-1(2H)-ones, 1e) Show SMILES COc1ccc2C(O)CNC(=O)c2c1 Show InChI InChI=1S/C10H11NO3/c1-14-6-2-3-7-8(4-6)10(13)11-5-9(7)12/h2-4,9,12H,5H2,1H3,(H,11,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM192005 (Isoquinolin-1(2H)-ones, 5) Show SMILES OC1CNC(=O)c2sccc12 Show InChI InChI=1S/C7H7NO2S/c9-5-3-8-7(10)6-4(5)1-2-11-6/h1-2,5,9H,3H2,(H,8,10)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM192004 (Isoquinolin-1(2H)-ones, 4b) Show SMILES Cc1ccc2c(n1)C(O)CCNC2=O Show InChI InChI=1S/C10H12N2O2/c1-6-2-3-7-9(12-6)8(13)4-5-11-10(7)14/h2-3,8,13H,4-5H2,1H3,(H,11,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM192001 (Isoquinolin-1(2H)-ones, 3a) Show SMILES OC1CNC(=O)c2cccnc12 Show InChI InChI=1S/C8H8N2O2/c11-6-4-10-8(12)5-2-1-3-9-7(5)6/h1-3,6,11H,4H2,(H,10,12)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Évora					Assay Description The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seve...				Bioorg Chem 67: 1-8 (2016) Article DOI: 10.1016/j.bioorg.2016.05.004 BindingDB Entry DOI: 10.7270/Q2XP73Q6
					More data for this Ligand-Target Pair

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