Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'vidaluc' and Initial = 'jl'   

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))	BDBM50092455 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCN1c1ccncc1 Show InChI InChI=1S/C24H30N4O3/c29-24-27(15-16-28(24)20-5-10-25-11-6-20)14-9-19-7-12-26(13-8-19)17-21-18-30-22-3-1-2-4-23(22)31-21/h1-6,10-11,19,21H,7-9,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040619 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(3-nitro-b...) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)[NH+]=C([S-])NCCC1CCN(Cc2ccccc2)CC1 |w:11.11| Show InChI InChI=1S/C22H26N4O3S/c27-21(19-7-4-8-20(15-19)26(28)29)24-22(30)23-12-9-17-10-13-25(14-11-17)16-18-5-2-1-3-6-18/h1-8,15,17H,9-14,16H2,(H2,23,24,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092453 (CHEMBL120989 | N-{2-[1-(2,3-Dihydro-benzo[1,4]diox...) Show SMILES [O-][N+](=O)c1ccccc1CC(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C24H29N3O5/c28-24(15-19-5-1-2-6-21(19)27(29)30)25-12-9-18-10-13-26(14-11-18)16-20-17-31-22-7-3-4-8-23(22)32-20/h1-8,18,20H,9-17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040622 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(9,10-diox...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C30H29N3O3S/c34-27-23-8-4-5-9-24(23)28(35)26-18-22(10-11-25(26)27)29(36)32-30(37)31-15-12-20-13-16-33(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,31,32,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholine esterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092421 (1-(2,6-Dichloro-phenyl)-3-{2-[1-(2,3-dihydro-benzo...) Show SMILES Clc1cccc(Cl)c1N1CCN(CCC2CCN(CC3COc4ccccc4O3)CC2)C1=O Show InChI InChI=1S/C25H29Cl2N3O3/c26-20-4-3-5-21(27)24(20)30-15-14-29(25(30)31)13-10-18-8-11-28(12-9-18)16-19-17-32-22-6-1-2-7-23(22)33-19/h1-7,18-19H,8-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092440 (1-Benzoyl-3-{2-[1-(2,3-dihydro-benzo[1,4]dioxin-2-...) Show SMILES O=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H29N3O4/c28-23(19-6-2-1-3-7-19)26-24(29)25-13-10-18-11-14-27(15-12-18)16-20-17-30-21-8-4-5-9-22(21)31-20/h1-9,18,20H,10-17H2,(H2,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040626 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(5-nitro-p...) Show SMILES [O-][N+](=O)c1ccc([N-]C(=[SH+])NCCC2CCN(Cc3ccccc3)CC2)nc1 Show InChI InChI=1S/C20H25N5O2S/c26-25(27)18-6-7-19(22-14-18)23-20(28)21-11-8-16-9-12-24(13-10-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H2,21,22,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092425 (2-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)Cc2ccccc12 Show InChI InChI=1S/C24H28N2O3/c27-24-21-6-2-1-5-19(21)15-26(24)14-11-18-9-12-25(13-10-18)16-20-17-28-22-7-3-4-8-23(22)29-20/h1-8,18,20H,9-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092452 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCN1c1ccccc1 Show InChI InChI=1S/C25H31N3O3/c29-25-27(16-17-28(25)21-6-2-1-3-7-21)15-12-20-10-13-26(14-11-20)18-22-19-30-23-8-4-5-9-24(23)31-22/h1-9,20,22H,10-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040657 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(3,4-dimet...) Show SMILES COc1ccc(cc1OC)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O3S/c1-29-21-9-8-20(16-22(21)30-2)23(28)26-24(31)25-13-10-18-11-14-27(15-12-18)17-19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H2,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032395 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(9,...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2c(O)c3ccccc3c(O)c2c1)Cc1ccccc1 Show InChI InChI=1S/C28H29N3O4S/c1-31(18-19-7-3-2-4-8-19)14-16-35-15-13-29-28(36)30-27(34)20-11-12-23-24(17-20)26(33)22-10-6-5-9-21(22)25(23)32/h2-12,17,32-33H,13-16,18H2,1H3,(H2,29,30,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040643 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-methane...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O3S2/c1-31(28,29)21-9-7-20(8-10-21)22(27)25-23(30)24-14-11-18-12-15-26(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H2,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040618 (1-(4-Acetyl-benzoyl)-3-[2-(1-benzyl-piperidin-4-yl...) Show SMILES CC(=O)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-18(28)21-7-9-22(10-8-21)23(29)26-24(30)25-14-11-19-12-15-27(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H2,25,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092419 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES S=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)Nc1ccccc1 Show InChI InChI=1S/C23H29N3O2S/c29-23(25-19-6-2-1-3-7-19)24-13-10-18-11-14-26(15-12-18)16-20-17-27-21-8-4-5-9-22(21)28-20/h1-9,18,20H,10-17H2,(H2,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092434 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES O=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)Nc1ccccc1 Show InChI InChI=1S/C23H29N3O3/c27-23(25-19-6-2-1-3-7-19)24-13-10-18-11-14-26(15-12-18)16-20-17-28-21-8-4-5-9-22(21)29-20/h1-9,18,20H,10-17H2,(H2,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092431 (2-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)C(=O)c2ccccc12 Show InChI InChI=1S/C24H26N2O4/c27-23-19-5-1-2-6-20(19)24(28)26(23)14-11-17-9-12-25(13-10-17)15-18-16-29-21-7-3-4-8-22(21)30-18/h1-8,17-18H,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040646 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-methoxy...) Show SMILES COc1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O2S/c1-28-21-9-7-20(8-10-21)22(27)25-23(29)24-14-11-18-12-15-26(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H2,24,25,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092423 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES [O-][N+](=O)c1ccc(NC(=O)NCCC2CCN(CC3COc4ccccc4O3)CC2)cc1 Show InChI InChI=1S/C23H28N4O5/c28-23(25-18-5-7-19(8-6-18)27(29)30)24-12-9-17-10-13-26(14-11-17)15-20-16-31-21-3-1-2-4-22(21)32-20/h1-8,17,20H,9-16H2,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040632 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(9-oxo-9H-...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)oc1ccccc1c2=O Show InChI InChI=1S/C29H29N3O3S/c33-27-23-8-4-5-9-25(23)35-26-18-22(10-11-24(26)27)28(34)31-29(36)30-15-12-20-13-16-32(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,30,31,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040637 (1-(Benzo[1,3]dioxole-5-carbonyl)-3-[2-(1-benzyl-pi...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H27N3O3S/c27-22(19-6-7-20-21(14-19)29-16-28-20)25-23(30)24-11-8-17-9-12-26(13-10-17)15-18-4-2-1-3-5-18/h1-7,14,17H,8-13,15-16H2,(H2,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092443 (3-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES CN(C(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1)c1ccccc1 Show InChI InChI=1S/C24H31N3O3/c1-26(20-7-3-2-4-8-20)24(28)25-14-11-19-12-15-27(16-13-19)17-21-18-29-22-9-5-6-10-23(22)30-21/h2-10,19,21H,11-18H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032391 (1-Benzoyl-3-[2-(1-benzyl-piperidin-4-yl)-ethyl]-th...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27N3OS/c26-21(20-9-5-2-6-10-20)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032384 (1-Benzoyl-3-{2-[2-(cyclohexyl-methyl-amino)-ethoxy...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C19H29N3O2S/c1-22(17-10-6-3-7-11-17)13-15-24-14-12-20-19(25)21-18(23)16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H2,20,21,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032391 (1-Benzoyl-3-[2-(1-benzyl-piperidin-4-yl)-ethyl]-th...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27N3OS/c26-21(20-9-5-2-6-10-20)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040655 (1-(4-Benzoyl-benzoyl)-3-[2-(1-benzyl-piperidin-4-y...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H31N3O2S/c33-27(24-9-5-2-6-10-24)25-11-13-26(14-12-25)28(34)31-29(35)30-18-15-22-16-19-32(20-17-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2,(H2,30,31,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032390 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(3-...) Show SMILES CN(CCOCCNC([S-])=[NH+]C(=O)c1cccc(c1)[N+]([O-])=O)Cc1ccccc1 |w:10.10| Show InChI InChI=1S/C20H24N4O4S/c1-23(15-16-6-3-2-4-7-16)11-13-28-12-10-21-20(29)22-19(25)17-8-5-9-18(14-17)24(26)27/h2-9,14H,10-13,15H2,1H3,(H2,21,22,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040631 (1-Benzoyl-3-[2-(1-benzyl-piperidin-4-yl)-ethyl]-ur...) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 Show InChI InChI=1S/C22H27N3O2/c26-21(20-9-5-2-6-10-20)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092446 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES Oc1ccc(NC(=O)NCCC2CCN(CC3COc4ccccc4O3)CC2)cc1 Show InChI InChI=1S/C23H29N3O4/c27-19-7-5-18(6-8-19)25-23(28)24-12-9-17-10-13-26(14-11-17)15-20-16-29-21-3-1-2-4-22(21)30-20/h1-8,17,20,27H,9-16H2,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092427 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES COc1ccc(NC(=O)NCCC2CCN(CC3COc4ccccc4O3)CC2)cc1 Show InChI InChI=1S/C24H31N3O4/c1-29-20-8-6-19(7-9-20)26-24(28)25-13-10-18-11-14-27(15-12-18)16-21-17-30-22-4-2-3-5-23(22)31-21/h2-9,18,21H,10-17H2,1H3,(H2,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092429 (3-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES O=C1Nc2ccccc2CN1CCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C24H29N3O3/c28-24-25-21-6-2-1-5-19(21)15-27(24)14-11-18-9-12-26(13-10-18)16-20-17-29-22-7-3-4-8-23(22)30-20/h1-8,18,20H,9-17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040620 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-chloro-...) Show SMILES Clc1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H26ClN3OS/c23-20-8-6-19(7-9-20)21(27)25-22(28)24-13-10-17-11-14-26(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H2,24,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040633 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-pyridin-2-...) Show SMILES S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccn1 Show InChI InChI=1S/C20H26N4S/c25-20(23-19-8-4-5-12-21-19)22-13-9-17-10-14-24(15-11-17)16-18-6-2-1-3-7-18/h1-8,12,17H,9-11,13-16H2,(H2,21,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092457 (CHEMBL121698 | N-{2-[1-(2,3-Dihydro-benzo[1,4]diox...) Show SMILES O=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)c1ccccc1 Show InChI InChI=1S/C23H28N2O3/c26-23(19-6-2-1-3-7-19)24-13-10-18-11-14-25(15-12-18)16-20-17-27-21-8-4-5-9-22(21)28-20/h1-9,18,20H,10-17H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092456 (CHEMBL120878 | N-{2-[1-(2,3-Dihydro-benzo[1,4]diox...) Show SMILES COc1ccccc1C(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C24H30N2O4/c1-28-21-7-3-2-6-20(21)24(27)25-13-10-18-11-14-26(15-12-18)16-19-17-29-22-8-4-5-9-23(22)30-19/h2-9,18-19H,10-17H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092445 (CHEMBL121131 | N-{2-[1-(2,3-Dihydro-benzo[1,4]diox...) Show SMILES [O-][N+](=O)c1ccccc1C(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C23H27N3O5/c27-23(19-5-1-2-6-20(19)26(28)29)24-12-9-17-10-13-25(14-11-17)15-18-16-30-21-7-3-4-8-22(21)31-18/h1-8,17-18H,9-16H2,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032398 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...) Show SMILES COc1ccc(cc1)C(=O)NC(=S)NCCOCCN(C)Cc1ccccc1 Show InChI InChI=1S/C21H27N3O3S/c1-24(16-17-6-4-3-5-7-17)13-15-27-14-12-22-21(28)23-20(25)18-8-10-19(26-2)11-9-18/h3-11H,12-16H2,1-2H3,(H2,22,23,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092448 (CHEMBL331327 | Phenyl-carbamic acid 2-[1-(2,3-dihy...) Show SMILES O=C(Nc1ccccc1)OCCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C23H28N2O4/c26-23(24-19-6-2-1-3-7-19)27-15-12-18-10-13-25(14-11-18)16-20-17-28-21-8-4-5-9-22(21)29-20/h1-9,18,20H,10-17H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092439 (3-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES O=C1Nc2ccccc2CCN1CCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C25H31N3O3/c29-25-26-22-6-2-1-5-20(22)12-16-28(25)15-11-19-9-13-27(14-10-19)17-21-18-30-23-7-3-4-8-24(23)31-21/h1-8,19,21H,9-18H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032393 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C20H24ClN3O2S/c1-24(15-16-5-3-2-4-6-16)12-14-26-13-11-22-20(27)23-19(25)17-7-9-18(21)10-8-17/h2-10H,11-15H2,1H3,(H2,22,23,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032394 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(9-...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2C(=O)c3ccccc3-c2c1)Cc1ccccc1 Show InChI InChI=1S/C27H27N3O3S/c1-30(18-19-7-3-2-4-8-19)14-16-33-15-13-28-27(34)29-26(32)20-11-12-23-24(17-20)21-9-5-6-10-22(21)25(23)31/h2-12,17H,13-16,18H2,1H3,(H2,28,29,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092438 (CHEMBL123434 | N-{2-[1-(2,3-Dihydro-benzo[1,4]diox...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C23H30N2O4S/c1-18-6-8-21(9-7-18)30(26,27)24-13-10-19-11-14-25(15-12-19)16-20-17-28-22-4-2-3-5-23(22)29-20/h2-9,19-20,24H,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092437 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES CN(CCC1CCN(CC2COc3ccccc3O2)CC1)C(=O)N(C)c1ccccc1 Show InChI InChI=1S/C25H33N3O3/c1-26(25(29)27(2)21-8-4-3-5-9-21)15-12-20-13-16-28(17-14-20)18-22-19-30-23-10-6-7-11-24(23)31-22/h3-11,20,22H,12-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040629 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-trifluo...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H26F3N3OS/c24-23(25,26)20-8-6-19(7-9-20)21(30)28-22(31)27-13-10-17-11-14-29(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H2,27,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092451 (1-Cyclohexyl-3-{2-[1-(2,3-dihydro-benzo[1,4]dioxin...) Show SMILES O=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O3/c27-23(25-19-6-2-1-3-7-19)24-13-10-18-11-14-26(15-12-18)16-20-17-28-21-8-4-5-9-22(21)29-20/h4-5,8-9,18-20H,1-3,6-7,10-17H2,(H2,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092430 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES CN(CCC1CCN(CC2COc3ccccc3O2)CC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H31N3O3/c1-26(24(28)25-20-7-3-2-4-8-20)14-11-19-12-15-27(16-13-19)17-21-18-29-22-9-5-6-10-23(22)30-21/h2-10,19,21H,11-18H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092428 (1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-...) Show SMILES O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCCN1c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c30-26-28(14-6-15-29(26)22-7-2-1-3-8-22)18-13-21-11-16-27(17-12-21)19-23-20-31-24-9-4-5-10-25(24)32-23/h1-5,7-10,21,23H,6,11-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040656 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(2-nitro-b...) Show SMILES [O-][N+](=O)c1ccccc1C(=O)[NH+]=C([S-])NCCC1CCN(Cc2ccccc2)CC1 |w:11.11| Show InChI InChI=1S/C22H26N4O3S/c27-21(19-8-4-5-9-20(19)26(28)29)24-22(30)23-13-10-17-11-14-25(15-12-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H2,23,24,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092426 (CHEMBL421262 | N-{2-[1-(2,3-Dihydro-benzo[1,4]diox...) Show SMILES O=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H34N2O3/c33-30(29(24-9-3-1-4-10-24)25-11-5-2-6-12-25)31-18-15-23-16-19-32(20-17-23)21-26-22-34-27-13-7-8-14-28(27)35-26/h1-14,23,26,29H,15-22H2,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50092420 (1-Benzyl-3-{2-[1-(2,3-dihydro-benzo[1,4]dioxin-2-y...) Show SMILES O=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O3/c28-24(26-16-20-6-2-1-3-7-20)25-13-10-19-11-14-27(15-12-19)17-21-18-29-22-8-4-5-9-23(22)30-21/h1-9,19,21H,10-18H2,(H2,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
					More data for this Ligand-Target Pair

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