Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'rush' and Initial = 'dk'   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards Dopamine receptor D2 in rat striatum using [3H]- spiperone as radioligand				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards serotonin 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- spiperone as radiolig...				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards serotonin 5-hydroxytryptamine 1A receptor receptor in rat hippocampus using [3H]-8-OH-D...				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- spiperone as radioligand				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- spiperone as radioligand				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards Dopamine receptor D2 in rat striatum using [3H]- spiperone as radioligand				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]-8-OH-DPAT as radioligand				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards Dopamine receptor D2 in rat striatum using [3H]- spiperone as radioligand				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards Dopamine receptor D1 in striatum using [3H]- SCH 23390 as radioligand				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]-8-OH-DPAT as radioligand				J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC
					More data for this Ligand-Target Pair
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
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 (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
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
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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 2: 865-870 (1992) Article DOI: 10.1016/S0960-894X(00)80546-6 BindingDB Entry DOI: 10.7270/Q25H7G51
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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)
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
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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+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 2: 865-870 (1992) Article DOI: 10.1016/S0960-894X(00)80546-6 BindingDB Entry DOI: 10.7270/Q25H7G51
					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
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
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 (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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033505 (5-(Indan-2-ylamino)-1-propyl-5,6,7,8-tetrahydro-1H...) Show SMILES CCCn1c2CCCC(NC3Cc4ccccc4C3)c2ccc1=O Show InChI InChI=1S/C21H26N2O/c1-2-12-23-20-9-5-8-19(18(20)10-11-21(23)24)22-17-13-15-6-3-4-7-16(15)14-17/h3-4,6-7,10-11,17,19,22H,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	3.91E+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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.00E+3	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; 3.3...				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))	BDBM50033517 (1-Propyl-5-(2-pyridin-2-yl-ethylamino)-5,6,7,8-tet...) Show SMILES CCCn1c2CCCC(NCCc3ccccn3)c2ccc1=O Show InChI InChI=1S/C19H25N3O/c1-2-14-22-18-8-5-7-17(16(18)9-10-19(22)23)21-13-11-15-6-3-4-12-20-15/h3-4,6,9-10,12,17,21H,2,5,7-8,11,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.34E+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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50280630 ((1S,4R)-9-Amino-1,2,3,4-tetrahydro-acridine-1,4-di...) Show SMILES Nc1c2[C@@H](O)CC[C@@H](O)c2nc2ccccc12 Show InChI InChI=1S/C13H14N2O2/c14-12-7-3-1-2-4-8(7)15-13-10(17)6-5-9(16)11(12)13/h1-4,9-10,16-17H,5-6H2,(H2,14,15)/t9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.60E+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 2: 865-870 (1992) Article DOI: 10.1016/S0960-894X(00)80546-6 BindingDB Entry DOI: 10.7270/Q25H7G51
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50033516 (5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(2-methyl...) Show SMILES CC(=C)Cn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O Show InChI InChI=1S/C21H24Cl2N2O/c1-14(2)13-25-20-5-3-4-19(16(20)7-9-21(25)26)24-11-10-15-6-8-17(22)18(23)12-15/h6-9,12,19,24H,1,3-5,10-11,13H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.32E+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))	BDBM50280632 ((1S,3S)-9-Amino-1,2,3,4-tetrahydro-acridine-1,3-di...) Show SMILES Nc1c2[C@@H](O)C[C@@H](O)Cc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O2/c14-13-8-3-1-2-4-9(8)15-10-5-7(16)6-11(17)12(10)13/h1-4,7,11,16-17H,5-6H2,(H2,14,15)/t7-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.40E+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 2: 865-870 (1992) Article DOI: 10.1016/S0960-894X(00)80546-6 BindingDB Entry DOI: 10.7270/Q25H7G51
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50369050 (CHEMBL1743676) Show SMILES CCCn1c2CCCC(NCCc3cccs3)c2ccc1=O Show InChI InChI=1S/C18H24N2OS/c1-2-12-20-17-7-3-6-16(15(17)8-9-18(20)21)19-11-10-14-5-4-13-22-14/h4-5,8-9,13,16,19H,2-3,6-7,10-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.97E+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))	BDBM50033489 (5-[2-(4-Chloro-phenyl)-ethylamino]-1-methyl-5,6,7,...) Show SMILES Cn1c2CCCC(NCCc3ccc(Cl)cc3)c2ccc1=O Show InChI InChI=1S/C18H21ClN2O/c1-21-17-4-2-3-16(15(17)9-10-18(21)22)20-12-11-13-5-7-14(19)8-6-13/h5-10,16,20H,2-4,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.60E+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))	BDBM50033520 (1-Allyl-5-[2-(3,4-dichloro-phenyl)-ethylamino]-5,6...) Show SMILES Clc1ccc(CCNC2CCCc3c2ccc(=O)n3CC=C)cc1Cl Show InChI InChI=1S/C20H22Cl2N2O/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/h2,6-9,13,18,23H,1,3-5,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.21E+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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