Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'kulshreshtha' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202489 (CHEMBL3910200) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C17H12ClN3O3S/c1-10(22)24-12-6-4-5-11(9-12)15(23)19-17-21-20-16(25-17)13-7-2-3-8-14(13)18/h2-9H,1H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202492 (CHEMBL3938124) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C16H11Cl2N3OS/c17-9-10-4-3-5-11(8-10)14(22)19-16-21-20-15(23-16)12-6-1-2-7-13(12)18/h1-8H,9H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202494 (CHEMBL3893245) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3OS/c17-10-11-5-4-8-13(9-11)14(21)18-16-20-19-15(22-16)12-6-2-1-3-7-12/h1-9H,10H2,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202508 (CHEMBL3962271) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1 Show InChI InChI=1S/C17H13N3O3S/c1-11(21)23-14-9-5-8-13(10-14)15(22)18-17-20-19-16(24-17)12-6-3-2-4-7-12/h2-10H,1H3,(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202496 (CHEMBL3891487) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C17H8ClF6N3OS/c18-12-4-2-1-3-11(12)14-26-27-15(29-14)25-13(28)8-5-9(16(19,20)21)7-10(6-8)17(22,23)24/h1-7H,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202499 (CHEMBL3960527) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1cccc(Cl)c1)CC(C)(C)C Show InChI InChI=1S/C17H22ClN3OS/c1-11(10-17(2,3)4)8-14(22)19-16-21-20-15(23-16)12-6-5-7-13(18)9-12/h5-7,9,11H,8,10H2,1-4H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202495 (CHEMBL3980699) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(C)cc1 Show InChI InChI=1S/C18H15N3O3S/c1-11-6-8-13(9-7-11)17-20-21-18(25-17)19-16(23)14-4-3-5-15(10-14)24-12(2)22/h3-10H,1-2H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202486 (CHEMBL3909539) Show SMILES Cc1ccc(cc1)-c1nnc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C18H11F6N3OS/c1-9-2-4-10(5-3-9)15-26-27-16(29-15)25-14(28)11-6-12(17(19,20)21)8-13(7-11)18(22,23)24/h2-8H,1H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202491 (CHEMBL3951830) Show SMILES Cc1ccc(cc1)-c1nnc(NC(=O)c2cccc(CCl)c2)s1 Show InChI InChI=1S/C17H14ClN3OS/c1-11-5-7-13(8-6-11)16-20-21-17(23-16)19-15(22)14-4-2-3-12(9-14)10-18/h2-9H,10H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202490 (CHEMBL3944788) Show SMILES CC(CC(=O)Nc1nnc(Cc2ccccc2)s1)CC(C)(C)C Show InChI InChI=1S/C18H25N3OS/c1-13(12-18(2,3)4)10-15(22)19-17-21-20-16(23-17)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202487 (CHEMBL3953512) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(Cc2ccccc2)s1 Show InChI InChI=1S/C17H14ClN3OS/c18-11-13-7-4-8-14(9-13)16(22)19-17-21-20-15(23-17)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202493 (CHEMBL3974229) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(Cc2ccccc2)s1 Show InChI InChI=1S/C18H15N3O3S/c1-12(22)24-15-9-5-8-14(11-15)17(23)19-18-21-20-16(25-18)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202497 (CHEMBL3982229) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1ccccc1)CC(C)(C)C Show InChI InChI=1S/C17H23N3OS/c1-12(11-17(2,3)4)10-14(21)18-16-20-19-15(22-16)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202488 (CHEMBL3979735) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1ccc(C)cc1)CC(C)(C)C Show InChI InChI=1S/C18H25N3OS/c1-12-6-8-14(9-7-12)16-20-21-17(23-16)19-15(22)10-13(2)11-18(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202496 (CHEMBL3891487) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C17H8ClF6N3OS/c18-12-4-2-1-3-11(12)14-26-27-15(29-14)25-13(28)8-5-9(16(19,20)21)7-10(6-8)17(22,23)24/h1-7H,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202492 (CHEMBL3938124) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C16H11Cl2N3OS/c17-9-10-4-3-5-11(8-10)14(22)19-16-21-20-15(23-16)12-6-1-2-7-13(12)18/h1-8H,9H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202489 (CHEMBL3910200) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C17H12ClN3O3S/c1-10(22)24-12-6-4-5-11(9-12)15(23)19-17-21-20-16(25-17)13-7-2-3-8-14(13)18/h2-9H,1H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202508 (CHEMBL3962271) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1 Show InChI InChI=1S/C17H13N3O3S/c1-11(21)23-14-9-5-8-13(10-14)15(22)18-17-20-19-16(24-17)12-6-3-2-4-7-12/h2-10H,1H3,(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202494 (CHEMBL3893245) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3OS/c17-10-11-5-4-8-13(9-11)14(21)18-16-20-19-15(22-16)12-6-2-1-3-7-12/h1-9H,10H2,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202486 (CHEMBL3909539) Show SMILES Cc1ccc(cc1)-c1nnc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C18H11F6N3OS/c1-9-2-4-10(5-3-9)15-26-27-16(29-15)25-14(28)11-6-12(17(19,20)21)8-13(7-11)18(22,23)24/h2-8H,1H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202495 (CHEMBL3980699) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(C)cc1 Show InChI InChI=1S/C18H15N3O3S/c1-11-6-8-13(9-7-11)17-20-21-18(25-17)19-16(23)14-4-3-5-15(10-14)24-12(2)22/h3-10H,1-2H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202493 (CHEMBL3974229) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(Cc2ccccc2)s1 Show InChI InChI=1S/C18H15N3O3S/c1-12(22)24-15-9-5-8-14(11-15)17(23)19-18-21-20-16(25-18)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202491 (CHEMBL3951830) Show SMILES Cc1ccc(cc1)-c1nnc(NC(=O)c2cccc(CCl)c2)s1 Show InChI InChI=1S/C17H14ClN3OS/c1-11-5-7-13(8-6-11)16-20-21-17(23-16)19-15(22)14-4-2-3-12(9-14)10-18/h2-9H,10H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202499 (CHEMBL3960527) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1cccc(Cl)c1)CC(C)(C)C Show InChI InChI=1S/C17H22ClN3OS/c1-11(10-17(2,3)4)8-14(22)19-16-21-20-15(23-16)12-6-5-7-13(18)9-12/h5-7,9,11H,8,10H2,1-4H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202487 (CHEMBL3953512) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(Cc2ccccc2)s1 Show InChI InChI=1S/C17H14ClN3OS/c18-11-13-7-4-8-14(9-13)16(22)19-17-21-20-15(23-17)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202497 (CHEMBL3982229) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1ccccc1)CC(C)(C)C Show InChI InChI=1S/C17H23N3OS/c1-12(11-17(2,3)4)10-14(21)18-16-20-19-15(22-16)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202488 (CHEMBL3979735) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1ccc(C)cc1)CC(C)(C)C Show InChI InChI=1S/C18H25N3OS/c1-12-6-8-14(9-7-12)16-20-21-17(23-16)19-15(22)10-13(2)11-18(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202490 (CHEMBL3944788) Show SMILES CC(CC(=O)Nc1nnc(Cc2ccccc2)s1)CC(C)(C)C Show InChI InChI=1S/C18H25N3OS/c1-13(12-18(2,3)4)10-15(22)19-17-21-20-16(23-17)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair