Compile Data Set for Download or QSAR

Found 1296 hits with Last Name = 'luque' and Initial = 'fj'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50200340 ((+/-)-huprine Y-HCl | (+/-)-huprineY hydrochloride...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1,THB:18:7:1.2.6:4,10:8:1.2.6:4| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Binding affinity to human AChE				J Med Chem 49: 6833-40 (2006) Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514737 (CHEMBL4482861) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H23N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5-15,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514738 (CHEMBL4536304) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1 |c:9| Show InChI InChI=1S/C17H21N2O6P/c1-4-24-26(22,25-5-2)15-14-13(10-18-15)16(20)19(17(14)21)11-6-8-12(23-3)9-7-11/h6-10,13-15H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514722 (CHEMBL4438801) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9| Show InChI InChI=1S/C22H22N3O7P/c1-3-31-33(30,32-4-2)22(15-9-6-5-7-10-15)19-18(14-23-22)20(26)24(21(19)27)16-11-8-12-17(13-16)25(28)29/h5-14,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50560224 (CHEMBL4751100) Show SMILES COc1cc2OC(C)(CCNCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant for enzyme-inhibitor complex using varying lev...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00528 BindingDB Entry DOI: 10.7270/Q23N2733
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50560224 (CHEMBL4751100) Show SMILES COc1cc2OC(C)(CCNCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant for enzyme-substrate-inhibitor complex using v...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00528 BindingDB Entry DOI: 10.7270/Q23N2733
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514727 (CHEMBL4483022) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C1CCCCC1)C2=O |c:9| Show InChI InChI=1S/C16H25N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h10-14H,3-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514724 (CHEMBL4535472) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1CCCCC1)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C22H29N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5,7-8,11-12,15,17-19H,3-4,6,9-10,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50379268 (CHEMBL3216556) Show SMILES Cl.Cl.Cl.Cl.[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5CCCCc5nc5cc(Cl)ccc45)c3[C@]([H])(CC(C)=C1)C2 |r,c:47| Show InChI InChI=1S/C37H42Cl2N4/c1-23-17-24-19-25(18-23)35-34(20-24)43-33-22-27(39)12-14-30(33)37(35)41-16-8-4-2-3-7-15-40-36-28-9-5-6-10-31(28)42-32-21-26(38)11-13-29(32)36/h11-14,17,21-22,24-25H,2-10,15-16,18-20H2,1H3,(H,40,42)(H,41,43)/t24-,25+/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 PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				J Med Chem 55: 661-9 (2012) Article DOI: 10.1021/jm200840c BindingDB Entry DOI: 10.7270/Q26974KH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50007801 (CHEMBL3233832) Show SMILES Cl.[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5C(=O)c6c(O)cccc6C(=O)c5c4)c3[C@]([H])(CC(C)=C1)C2 |r,c:54| Show InChI InChI=1S/C41H42ClN3O5.ClH/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46;/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50);1H/t24-,25+;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate assessed as dissociation constant for enzyme-inhibitor complex by Li...				J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514745 (CHEMBL4439953) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1 |c:9| Show InChI InChI=1S/C16H17ClFN2O5P/c1-3-24-26(23,25-4-2)14-13-10(8-19-14)15(21)20(16(13)22)9-5-6-12(18)11(17)7-9/h5-8,10,13-14H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50007801 (CHEMBL3233832) Show SMILES Cl.[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5C(=O)c6c(O)cccc6C(=O)c5c4)c3[C@]([H])(CC(C)=C1)C2 |r,c:54| Show InChI InChI=1S/C41H42ClN3O5.ClH/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46;/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50);1H/t24-,25+;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate assessed as dissociation constant for enzyme-substrate-inhibitor com...				J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514739 (CHEMBL4467833) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C)C2=O |c:9| Show InChI InChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)9-8-7(6-12-9)10(14)13(3)11(8)15/h6-9H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514718 (CHEMBL4438158) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C23H25N2O5P/c1-3-29-31(28,30-4-2)23(18-13-9-6-10-14-18)20-19(15-24-23)21(26)25(22(20)27)16-17-11-7-5-8-12-17/h5-15,19-20H,3-4,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Non-competitive inhibition of rat liver mitochondrial MAO-B using phenylethylamine as substrate by Line-Weaver Burk plot analysis				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50262340 (11-Amino-3,3-dimethyl-12-p-tolyl-3,4,5,7,8,9,10,12...) Show SMILES Cc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2nc3CCCCc3c(N)c12 |c:18| Show InChI InChI=1S/C25H29N3O/c1-14-8-10-15(11-9-14)20-21-18(12-25(2,3)13-19(21)29)28-24-22(20)23(26)16-6-4-5-7-17(16)27-24/h8-11,20-21H,4-7,12-13H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50262341 (11-Amino-12-(4-methoxy-phenyl)-3,3-dimethyl-3,4,5,...) Show SMILES COc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2nc3CCCCc3c(N)c12 |c:19| Show InChI InChI=1S/C25H29N3O2/c1-25(2)12-18-21(19(29)13-25)20(14-8-10-15(30-3)11-9-14)22-23(26)16-6-4-5-7-17(16)27-24(22)28-18/h8-11,20-21H,4-7,12-13H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50262282 (11-Amino-3,3-dimethyl-12-phenyl-3,4,5,7,8,9,10,12-...) Show SMILES CC1(C)CC(=O)C2C(c3ccccc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28| Show InChI InChI=1S/C24H27N3O/c1-24(2)12-17-20(18(28)13-24)19(14-8-4-3-5-9-14)21-22(25)15-10-6-7-11-16(15)26-23(21)27-17/h3-5,8-9,19-20H,6-7,10-13H2,1-2H3,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514734 (CHEMBL4568994) Show SMILES CCOP(=O)(OCC)C1(Cc2ccc(F)cc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:18| Show InChI InChI=1S/C23H24FN2O5P/c1-3-30-32(29,31-4-2)23(14-16-10-12-17(24)13-11-16)20-19(15-25-23)21(27)26(22(20)28)18-8-6-5-7-9-18/h5-13,15,19-20H,3-4,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50262339 (11-Amino-12-(4-fluoro-phenyl)-3,3-dimethyl-3,4,5,7...) Show SMILES CC1(C)CC(=O)C2C(c3ccc(F)cc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:29| Show InChI InChI=1S/C24H26FN3O/c1-24(2)11-17-20(18(29)12-24)19(13-7-9-14(25)10-8-13)21-22(26)15-5-3-4-6-16(15)27-23(21)28-17/h7-10,19-20H,3-6,11-12H2,1-2H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50282653 (CHEMBL4163689) Show SMILES CC(C(=O)Nc1ncccc1Cl)c1ccc(Nc2ccnc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16ClF3N4O/c1-12(19(29)28-18-16(21)3-2-9-26-18)13-4-6-14(7-5-13)27-15-8-10-25-17(11-15)20(22,23)24/h2-12H,1H3,(H,25,27)(H,26,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Noncompetitive inhibition of rat brain FAAH using [3H]AEA as substrate after 10 mins by Dixon plot analysis				Eur J Med Chem 136: 523-542 (2017) Article DOI: 10.1016/j.ejmech.2017.05.033 BindingDB Entry DOI: 10.7270/Q2H134JK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Mixed type inhibition of Electrophorus electricus AchE using acetylthiocholine as substrate by Line-Weaver Burk plot analysis				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50262342 (11-Amino-3,3-dimethyl-12-pyridin-4-yl-3,4,5,7,8,9,...) Show SMILES CC1(C)CC(=O)C2C(c3ccncc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28| Show InChI InChI=1S/C23H26N4O/c1-23(2)11-16-19(17(28)12-23)18(13-7-9-25-10-8-13)20-21(24)14-5-3-4-6-15(14)26-22(20)27-16/h7-10,18-19H,3-6,11-12H2,1-2H3,(H2,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514743 (CHEMBL4454147) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C22H22FN2O5P/c1-3-29-31(28,30-4-2)22(15-10-12-16(23)13-11-15)19-18(14-24-22)20(26)25(21(19)27)17-8-6-5-7-9-17/h5-14,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514751 (CHEMBL4554450) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)C(C)(C)C)c1ccccc1 |c:9| Show InChI InChI=1S/C20H27N2O5P/c1-6-26-28(25,27-7-2)20(14-11-9-8-10-12-14)16-15(13-21-20)17(23)22(18(16)24)19(3,4)5/h8-13,15-16H,6-7H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50086502 (2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...) Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2| Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50282650 (CHEMBL4173207) Show SMILES CC(C(=O)Nc1ncccc1C)c1ccc(Nc2ccnc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H19F3N4O/c1-13-4-3-10-26-19(13)28-20(29)14(2)15-5-7-16(8-6-15)27-17-9-11-25-18(12-17)21(22,23)24/h3-12,14H,1-2H3,(H,25,27)(H,26,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Competitive inhibition of rat brain FAAH using [3H]AEA as substrate after 10 mins by Dixon plot analysis				Eur J Med Chem 136: 523-542 (2017) Article DOI: 10.1016/j.ejmech.2017.05.033 BindingDB Entry DOI: 10.7270/Q2H134JK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514721 (CHEMBL4450506) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H21ClFN2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-16(13-25-22)20(27)26(21(19)28)15-10-11-18(24)17(23)12-15/h5-13,16,19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514721 (CHEMBL4450506) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H21ClFN2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-16(13-25-22)20(27)26(21(19)28)15-10-11-18(24)17(23)12-15/h5-13,16,19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514730 (CHEMBL4456882) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H21Cl2N2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-18(13-25-22)20(27)26(21(19)28)17-11-15(23)10-16(24)12-17/h5-13,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM86234 (CAS_64057-70-1 | MDMA,S(+) | NSC_126235) Show SMILES CN[C@H](C)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514731 (CHEMBL4528557) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1Cl)c1ccccc1 |c:9| Show InChI InChI=1S/C22H22ClN2O5P/c1-3-29-31(28,30-4-2)22(15-10-6-5-7-11-15)19-16(14-24-22)20(26)25(21(19)27)18-13-9-8-12-17(18)23/h5-14,16,19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50100134 (2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...) Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [N-methyl-11C]6-Me-BTA-1 from pre-aggregated amyloid beta (1 to 40) fibrils (unknown origin) after 30 mins by scintillation counting ...				J Nat Prod 80: 278-289 (2017) Article DOI: 10.1021/acs.jnatprod.6b00643 BindingDB Entry DOI: 10.7270/Q2CR5XCM
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514725 (CHEMBL4459090) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C17H21N2O5P/c1-4-23-25(22,24-5-2)17(12-9-7-6-8-10-12)14-13(11-18-17)15(20)19(3)16(14)21/h6-11,13-14H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514742 (CHEMBL4587519) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CC)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C18H23N2O5P/c1-4-20-16(21)14-12-19-18(15(14)17(20)22,13-10-8-7-9-11-13)26(23,24-5-2)25-6-3/h7-12,14-15H,4-6H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50010588 ((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...) Show SMILES CNC(C)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514746 (CHEMBL4587003) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccc(F)cc1)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H26FN2O5P/c1-3-31-33(30,32-4-2)24(18-8-6-5-7-9-18)21-20(16-26-24)22(28)27(23(21)29)15-14-17-10-12-19(25)13-11-17/h5-13,16,20-21H,3-4,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50282653 (CHEMBL4163689) Show SMILES CC(C(=O)Nc1ncccc1Cl)c1ccc(Nc2ccnc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16ClF3N4O/c1-12(19(29)28-18-16(21)3-2-9-26-18)13-4-6-14(7-5-13)27-15-8-10-25-17(11-15)20(22,23)24/h2-12H,1H3,(H,25,27)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Mixed-type inhibition of B6CBAF1/J mouse brain FAAH using [3H]AEA as substrate after 10 mins by Dixon plot analysis				Eur J Med Chem 136: 523-542 (2017) Article DOI: 10.1016/j.ejmech.2017.05.033 BindingDB Entry DOI: 10.7270/Q2H134JK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514728 (CHEMBL4533687) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 |c:9| Show InChI InChI=1S/C28H27N2O6P/c1-3-34-37(33,35-4-2)28(20-11-7-5-8-12-20)25-24(19-29-28)26(31)30(27(25)32)21-15-17-23(18-16-21)36-22-13-9-6-10-14-22/h5-19,24-25H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514750 (CHEMBL4475933) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)cc1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H22FN2O5P/c1-3-29-31(28,30-4-2)22(15-8-6-5-7-9-15)19-18(14-24-22)20(26)25(21(19)27)17-12-10-16(23)11-13-17/h5-14,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50282650 (CHEMBL4173207) Show SMILES CC(C(=O)Nc1ncccc1C)c1ccc(Nc2ccnc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H19F3N4O/c1-13-4-3-10-26-19(13)28-20(29)14(2)15-5-7-16(8-6-15)27-17-9-11-25-18(12-17)21(22,23)24/h3-12,14H,1-2H3,(H,25,27)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Mixed-type inhibition of B6CBAF1/J mouse brain FAAH using [3H]AEA as substrate after 10 mins by Dixon plot analysis				Eur J Med Chem 136: 523-542 (2017) Article DOI: 10.1016/j.ejmech.2017.05.033 BindingDB Entry DOI: 10.7270/Q2H134JK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514747 (CHEMBL151697) Show SMILES c1c[nH]c(n1)-c1cc2ccccc2o1 Show InChI InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM31904 (CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...) Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514729 (CHEMBL4459403) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 |c:9| Show InChI InChI=1S/C22H20Cl3N2O5P/c1-3-31-33(30,32-4-2)22(13-8-6-5-7-9-13)18-15(12-26-22)20(28)27(21(18)29)19-16(24)10-14(23)11-17(19)25/h5-12,15,18H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514719 (CHEMBL4590209) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C28H27N2O5P/c1-3-34-36(33,35-4-2)28(22-13-9-6-10-14-22)25-24(19-29-28)26(31)30(27(25)32)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-19,24-25H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514726 (CHEMBL4546903) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C16H19N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h5-10,12-14H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292582 (CHEMBL4162427) Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H22N4O7S/c1-20-9-8(17)7(16)6(15)5(21-9)4-14-22(18,19)3-2-13-10(11)12/h5-9,14-17H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514741 (CHEMBL4476557) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)C(F)(F)F)c1ccccc1 |c:9| Show InChI InChI=1S/C23H22F3N2O5P/c1-3-32-34(31,33-4-2)22(15-8-6-5-7-9-15)19-18(14-27-22)20(29)28(21(19)30)17-12-10-16(11-13-17)23(24,25)26/h5-14,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair

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