Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'fink' and Initial = 'dm'   

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))	BDBM10972 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.00029-0.001				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10972 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10972 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50290392 (Benzyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-pr...) Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NCc3ccccc3)ccc12 Show InChI InChI=1S/C25H25FN4O2/c1-3-13-29(24-11-12-27-16-22(24)26)30-17-18(2)21-14-20(9-10-23(21)30)32-25(31)28-15-19-7-5-4-6-8-19/h4-12,14,16-17H,3,13,15H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.01-0.069				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50290391 (CHEMBL42531 | Methyl-carbamic acid 1-[(3-fluoro-py...) Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc12 Show InChI InChI=1S/C19H21FN4O2/c1-4-9-23(18-7-8-22-11-16(18)20)24-12-13(2)15-10-14(5-6-17(15)24)26-19(25)21-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.023-0.041				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50290392 (Benzyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-pr...) Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NCc3ccccc3)ccc12 Show InChI InChI=1S/C25H25FN4O2/c1-3-13-29(24-11-12-27-16-22(24)26)30-17-18(2)21-14-20(9-10-23(21)30)32-25(31)28-15-19-7-5-4-6-8-19/h4-12,14,16-17H,3,13,15H2,1-2H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50290391 (CHEMBL42531 | Methyl-carbamic acid 1-[(3-fluoro-py...) Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc12 Show InChI InChI=1S/C19H21FN4O2/c1-4-9-23(18-7-8-22-11-16(18)20)24-12-13(2)15-10-14(5-6-17(15)24)26-19(25)21-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50231956 ((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...) Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0| Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50342601 (CHEMBL1255901 | Huperzine A) Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288976 (CHEMBL155350 | Methyl-carbamic acid 8-chloro-3-[(Z...) Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21 |w:2.1| Show InChI InChI=1S/C16H18ClN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50290389 (CHEMBL295462 | Methyl-carbamic acid 1-(3-fluoro-py...) Show SMILES CNC(=O)Oc1ccc2n(Nc3ccncc3F)cc(C)c2c1 Show InChI InChI=1S/C16H15FN4O2/c1-10-9-21(20-14-5-6-19-8-13(14)17)15-4-3-11(7-12(10)15)23-16(22)18-2/h3-9H,1-2H3,(H,18,22)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288977 (CHEMBL160836 | Methyl-carbamic acid 8-bromo-3-[(Z)...) Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21 |w:2.1| Show InChI InChI=1S/C16H18BrN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288981 (CHEMBL160219 | Methyl-carbamic acid 4-methyl-3-[(Z...) Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1 |w:18.21| Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)27-16-8-11-20-18(14-16)17-9-10-19(21(17)25(20)2)24-13-12-15-6-4-3-5-7-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288976 (CHEMBL155350 | Methyl-carbamic acid 8-chloro-3-[(Z...) Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21 |w:2.1| Show InChI InChI=1S/C16H18ClN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288966 (CHEMBL156861 | Methyl-carbamic acid 8-bromo-4-meth...) Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:19.22| Show InChI InChI=1S/C15H16BrN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288969 (4-(7-Bromo-5-methoxy-benzofuran-2-yl)-piperidine |...) Show SMILES COc1cc(Br)c2oc(cc2c1)C1CCNCC1 Show InChI InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50290389 (CHEMBL295462 | Methyl-carbamic acid 1-(3-fluoro-py...) Show SMILES CNC(=O)Oc1ccc2n(Nc3ccncc3F)cc(C)c2c1 Show InChI InChI=1S/C16H15FN4O2/c1-10-9-21(20-14-5-6-19-8-13(14)17)15-4-3-11(7-12(10)15)23-16(22)18-2/h3-9H,1-2H3,(H,18,22)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.15-0.22				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288977 (CHEMBL160836 | Methyl-carbamic acid 8-bromo-3-[(Z)...) Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21 |w:2.1| Show InChI InChI=1S/C16H18BrN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288979 (CHEMBL155754 | Methyl-carbamic acid 8-chloro-4-met...) Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC |w:19.22| Show InChI InChI=1S/C15H16ClN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288975 (CHEMBL445916 | Methyl-carbamic acid 8-bromo-3-[(Z)...) Show SMILES CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC |w:21.24| Show InChI InChI=1S/C18H22BrN3O2/c1-4-10-22-13-8-9-14(24-18(23)20-3)16(19)15(13)11-6-7-12(17(11)22)21-5-2/h8-9H,4-7,10H2,1-3H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033519 (5-[2-(4-Hydroxy-phenyl)-ethylamino]-1-(3-methyl-bu...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(-[#8])cc3)-c2ccc1=O Show InChI InChI=1S/C22H28N2O2/c1-16(2)13-15-24-21-5-3-4-20(19(21)10-11-22(24)26)23-14-12-17-6-8-18(25)9-7-17/h6-11,13,20,23,25H,3-5,12,14-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033527 (5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(Cl)c3)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(17(21)7-9-22(26)27)25-12-10-16-6-8-18(23)19(24)14-16/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033521 (5-[2-(3-Chloro-phenyl)-ethylamino]-1-(3-methyl-but...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cccc(Cl)c3)-c2ccc1=O Show InChI InChI=1S/C22H27ClN2O/c1-16(2)12-14-25-21-8-4-7-20(19(21)9-10-22(25)26)24-13-11-17-5-3-6-18(23)15-17/h3,5-6,9-10,12,15,20,24H,4,7-8,11,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033491 (5-[2-(2-Chloro-phenyl)-ethylamino]-1-(3-methyl-but...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccccc3Cl)-c2ccc1=O Show InChI InChI=1S/C22H27ClN2O/c1-16(2)13-15-25-21-9-5-8-20(18(21)10-11-22(25)26)24-14-12-17-6-3-4-7-19(17)23/h3-4,6-7,10-11,13,20,24H,5,8-9,12,14-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50231956 ((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...) Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0| Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288966 (CHEMBL156861 | Methyl-carbamic acid 8-bromo-4-meth...) Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:19.22| Show InChI InChI=1S/C15H16BrN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288973 (CHEMBL157182 | Methyl-carbamic acid 6-chloro-4-met...) Show SMILES CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl |w:12.12| Show InChI InChI=1S/C15H16ClN3O2/c1-17-11-5-4-8-9-6-13(21-15(20)18-2)10(16)7-12(9)19(3)14(8)11/h6-7H,4-5H2,1-3H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288967 (Butyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methyl...) Show SMILES CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:22.25| Show InChI InChI=1S/C18H22BrN3O2/c1-4-5-10-21-18(23)24-14-9-8-13-15(16(14)19)11-6-7-12(20-2)17(11)22(13)3/h8-9H,4-7,10H2,1-3H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033495 (5-[2-(4-Chloro-3-trifluoromethyl-phenyl)-ethylamin...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(c3)C(F)(F)F)-c2ccc1=O Show InChI InChI=1S/C23H26ClF3N2O/c1-15(2)11-13-29-21-5-3-4-20(17(21)7-9-22(29)30)28-12-10-16-6-8-19(24)18(14-16)23(25,26)27/h6-9,11,14,20,28H,3-5,10,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033496 (5-[2-(2,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)cc3Cl)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(18(21)8-9-22(26)27)25-12-10-16-6-7-17(23)14-19(16)24/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033512 (5-[2-(3,5-Dichloro-phenyl)-ethylamino]-1-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cc(Cl)cc(Cl)c3)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)9-11-26-21-5-3-4-20(19(21)6-7-22(26)27)25-10-8-16-12-17(23)14-18(24)13-16/h6-7,9,12-14,20,25H,3-5,8,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50290390 (Butyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-pro...) Show SMILES CCCCNC(=O)Oc1ccc2n(cc(C)c2c1)N(CCC)c1ccncc1F Show InChI InChI=1S/C22H27FN4O2/c1-4-6-10-25-22(28)29-17-7-8-20-18(13-17)16(3)15-27(20)26(12-5-2)21-9-11-24-14-19(21)23/h7-9,11,13-15H,4-6,10,12H2,1-3H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.69-1.2				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288970 (CHEMBL346766 | Methyl-[4-methyl-1,4-dihydro-2H-cyc...) Show SMILES CN=C1CCc2c1n(C)c1ccccc21 |w:1.0| Show InChI InChI=1S/C13H14N2/c1-14-11-8-7-10-9-5-3-4-6-12(9)15(2)13(10)11/h3-6H,7-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033510 (5-[2-(3,4-Difluoro-phenyl)-ethylamino]-1-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(F)c(F)c3)-c2ccc1=O Show InChI InChI=1S/C22H26F2N2O/c1-15(2)11-13-26-21-5-3-4-20(17(21)7-9-22(26)27)25-12-10-16-6-8-18(23)19(24)14-16/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033492 (5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-propyl-5,...) Show SMILES CCCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O Show InChI InChI=1S/C20H24Cl2N2O/c1-2-12-24-19-5-3-4-18(15(19)7-9-20(24)25)23-11-10-14-6-8-16(21)17(22)13-14/h6-9,13,18,23H,2-5,10-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033511 (5-[2-(3-Methoxy-phenyl)-ethylamino]-1-(3-methyl-bu...) Show SMILES [#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-[#6]-2-[#6]-[#6]-[#6]-c3c-2ccc(=O)n3-[#6]\[#6]=[#6](/[#6])-[#6])c1 Show InChI InChI=1S/C23H30N2O2/c1-17(2)13-15-25-22-9-5-8-21(20(22)10-11-23(25)26)24-14-12-18-6-4-7-19(16-18)27-3/h4,6-7,10-11,13,16,21,24H,5,8-9,12,14-15H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288979 (CHEMBL155754 | Methyl-carbamic acid 8-chloro-4-met...) Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC |w:19.22| Show InChI InChI=1S/C15H16ClN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033507 (5-[2-(2,5-Dichloro-phenyl)-ethylamino]-1-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cc(Cl)ccc3Cl)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(18(21)7-9-22(26)27)25-12-10-16-14-17(23)6-8-19(16)24/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288971 (CHEMBL156919 | [4-Methyl-1,4-dihydro-2H-cyclopenta...) Show SMILES CCCN=C1CCc2c1n(C)c1ccccc21 |w:3.2| Show InChI InChI=1S/C15H18N2/c1-3-10-16-13-9-8-12-11-6-4-5-7-14(11)17(2)15(12)13/h4-7H,3,8-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033523 (5-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-1-(3-methy...) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-[#6]-2-[#6]-[#6]-[#6]-c3c-2ccc(=O)n3-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]-[#6] Show InChI InChI=1S/C24H32N2O3/c1-17(2)13-15-26-21-7-5-6-20(19(21)9-11-24(26)27)25-14-12-18-8-10-22(28-3)23(16-18)29-4/h8-11,13,16,20,25H,5-7,12,14-15H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50288965 (CHEMBL347197 | Ethyl-[4-methyl-1,4-dihydro-2H-cycl...) Show SMILES CCN=C1CCc2c1n(C)c1ccccc21 |w:2.1| Show InChI InChI=1S/C14H16N2/c1-3-15-12-9-8-11-10-6-4-5-7-13(10)16(2)14(11)12/h4-7H,3,8-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A).				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033494 (5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl...) Show SMILES CC(C)CCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O Show InChI InChI=1S/C22H28Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(17(21)7-9-22(26)27)25-12-10-16-6-8-18(23)19(24)14-16/h6-9,14-15,20,25H,3-5,10-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50033527 (5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(Cl)c3)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(17(21)7-9-22(26)27)25-12-10-16-6-8-18(23)19(24)14-16/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description The compound was tested for Butyrylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033508 (5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-methyl-5,...) Show SMILES Cn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O Show InChI InChI=1S/C18H20Cl2N2O/c1-22-17-4-2-3-16(13(17)6-8-18(22)23)21-10-9-12-5-7-14(19)15(20)11-12/h5-8,11,16,21H,2-4,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033509 (5-Phenethylamino-1-propyl-5,6,7,8-tetrahydro-1H-qu...) Show SMILES CCCn1c2CCCC(NCCc3ccccc3)c2ccc1=O Show InChI InChI=1S/C20H26N2O/c1-2-15-22-19-10-6-9-18(17(19)11-12-20(22)23)21-14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,18,21H,2,6,9-10,13-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033522 (5-[2-(1H-Indol-3-yl)-ethylamino]-1-propyl-5,6,7,8-...) Show SMILES CCCn1c2CCCC(NCCc3c[nH]c4ccccc34)c2ccc1=O Show InChI InChI=1S/C22H27N3O/c1-2-14-25-21-9-5-8-20(18(21)10-11-22(25)26)23-13-12-16-15-24-19-7-4-3-6-17(16)19/h3-4,6-7,10-11,15,20,23-24H,2,5,8-9,12-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288967 (Butyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methyl...) Show SMILES CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:22.25| Show InChI InChI=1S/C18H22BrN3O2/c1-4-5-10-21-18(23)24-14-9-8-13-15(16(14)19)11-6-7-12(20-2)17(11)22(13)3/h8-9H,4-7,10H2,1-3H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50288968 (CHEMBL156931 | Methyl-carbamic acid 4-methyl-3-[(Z...) Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC |w:18.21| Show InChI InChI=1S/C15H17N3O2/c1-16-12-6-5-10-11-8-9(20-15(19)17-2)4-7-13(11)18(3)14(10)12/h4,7-8H,5-6H2,1-3H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				Bioorg Med Chem Lett 6: 625-630 (1996) Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033500 (5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-hexyl-5,6...) Show SMILES CCCCCCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O Show InChI InChI=1S/C23H30Cl2N2O/c1-2-3-4-5-15-27-22-8-6-7-21(18(22)10-12-23(27)28)26-14-13-17-9-11-19(24)20(25)16-17/h9-12,16,21,26H,2-8,13-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates				J Med Chem 38: 3645-51 (1995) BindingDB Entry DOI: 10.7270/Q2X34Z3G
					More data for this Ligand-Target Pair

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