Compile Data Set for Download or QSAR

Found 2145 hits with Last Name = 'peters' and Initial = 'd'   

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
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279404 (CHEMBL447388 | cis-2-(5-Ethoxy-3-pyridinyl)octahyd...) Show SMILES CCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C13H19N3O/c1-2-17-13-3-12(6-15-7-13)16-8-10-4-14-5-11(10)9-16/h3,6-7,10-11,14H,2,4-5,8-9H2,1H3/t10-,11+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279405 (CHEMBL488772 | cis-3-(5-Propyloxy-3-pyridinyl)-3,7...) Show SMILES CCCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C14H21N3O/c1-2-3-18-14-4-13(7-16-8-14)17-9-11-5-15-6-12(11)10-17/h4,7-8,11-12,15H,2-3,5-6,9-10H2,1H3/t11-,12+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50278878 (CHEMBL502567 | cis-3-(5-Isopropyloxy-3-pyridinyl)-...) Show SMILES CC(C)Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C14H21N3O/c1-10(2)18-14-3-13(6-16-7-14)17-8-11-4-15-5-12(11)9-17/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3/t11-,12+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50278877 (CHEMBL524911 | cis-2-(5-(Benzyloxy)pyridin-3-yl)oc...) Show SMILES C(Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1)c1ccccc1 |r| Show InChI InChI=1S/C18H21N3O/c1-2-4-14(5-3-1)13-22-18-6-17(9-20-10-18)21-11-15-7-19-8-16(15)12-21/h1-6,9-10,15-16,19H,7-8,11-13H2/t15-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279402 (CHEMBL486511 | cis-2-(5-Bromopyridin-3-yl)-octahyd...) Show SMILES Brc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C11H14BrN3/c12-10-1-11(5-14-4-10)15-6-8-2-13-3-9(8)7-15/h1,4-5,8-9,13H,2-3,6-7H2/t8-,9+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319933 ((1S,4S)-2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-5-...) Show SMILES C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C17H21N4/c1-21(2)12-14-10-15(21)11-20(14)17-9-8-16(18-19-17)13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/q+1/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1 Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279403 (CHEMBL486512 | cis-2-(5-Methoxy-3-pyridinyl)octahy...) Show SMILES COc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C12H17N3O/c1-16-12-2-11(5-14-6-12)15-7-9-3-13-4-10(9)8-15/h2,5-6,9-10,13H,3-4,7-8H2,1H3/t9-,10+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279369 (CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...) Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1 |r| Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50278881 (CHEMBL496667 | cis-2-(5-Phenylpyridin-3-yl)-octahy...) Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C17H19N3/c1-2-4-13(5-3-1)14-6-17(10-19-7-14)20-11-15-8-18-9-16(15)12-20/h1-7,10,15-16,18H,8-9,11-12H2/t15-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279371 (CHEMBL484831 | cis-2-(6-Chloro-3-pyridinyl)octahyd...) Show SMILES Clc1ccc(cn1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C11H14ClN3/c12-11-2-1-10(5-14-11)15-6-8-3-13-4-9(8)7-15/h1-2,5,8-9,13H,3-4,6-7H2/t8-,9+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50319928 ((1R,4R)-2-(6-chloropyridazin-3-yl)-2,5-diazabicycl...) Show SMILES Clc1ccc(nn1)N1C[C@H]2C[C@@H]1CN2 |r| Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6/h1-2,6-7,11H,3-5H2/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319964 (5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H20N4/c1-22-11-17-9-16(22)12-23(17)19-5-3-15(10-21-19)13-2-4-18-14(8-13)6-7-20-18/h2-8,10,16-17,20H,9,11-12H2,1H3/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50279059 (CHEMBL496851 | cis-5-[6-(5-Methyl-hexahydro-pyrrol...) Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1 Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279401 (CHEMBL498943 | cis-5-(6-Bromo-pyridin-3-yl)-hexahy...) Show SMILES Brc1ccc(cn1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C11H14BrN3/c12-11-2-1-10(5-14-11)15-6-8-3-13-4-9(8)7-15/h1-2,5,8-9,13H,3-4,6-7H2/t8-,9+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319963 (5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-5-3-13(8-19-18)12-2-4-17-14(6-12)9-20-21-17/h2-6,8-9,15-16H,7,10-11H2,1H3,(H,20,21)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319944 (2-methyl-5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(C)cc2c1 |r| Show InChI InChI=1S/C19H21N5/c1-12-7-14-8-13(3-4-17(14)20-12)18-5-6-19(22-21-18)24-11-15-9-16(24)10-23(15)2/h3-8,15-16,20H,9-11H2,1-2H3/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV 1a NS3 protease				Bioorg Med Chem 15: 1448-74 (2007) Article DOI: 10.1016/j.bmc.2006.11.003 BindingDB Entry DOI: 10.7270/Q22B8ZVH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50088454 (1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...) Show SMILES Brc1ccc(cn1)N1CCCNCC1 Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319940 (5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C18H19N5/c1-22-10-15-9-14(22)11-23(15)18-5-4-17(20-21-18)12-2-3-16-13(8-12)6-7-19-16/h2-8,14-15,19H,9-11H2,1H3/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050511 ((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...) Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50050511 ((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...) Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP9 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP9 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50319962 ((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyridin-2-yl)-...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2sccc2c1 |r| Show InChI InChI=1S/C19H19N3S/c1-21-11-17-9-16(21)12-22(17)19-5-3-15(10-20-19)13-2-4-18-14(8-13)6-7-23-18/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50319955 ((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyrimidin-2-yl...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H18N4S/c1-21-10-16-7-15(21)11-22(16)18-19-8-14(9-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,15-16H,7,10-11H2,1H3/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304053 (CHEMBL595677 | methyl 8-methyl-3-(4-(thiophen-3-yl...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3/t16?,17-,18?,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM92377 (NS3573, 2) Show SMILES CCOc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) Show SMILES C1CNCCN(C1)c1cccnc1 Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50278880 (CHEMBL502841 | cis-2-(5-Hydroxy-3-pyridinyl)octahy...) Show SMILES Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C11H15N3O/c15-11-1-10(4-13-5-11)14-6-8-2-12-3-9(8)7-14/h1,4-5,8-9,12,15H,2-3,6-7H2/t8-,9+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP9 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50088437 (1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane | CHEMBL3...) Show SMILES C1CNCCN(C1)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304049 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35| Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319939 (5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C17H18N6/c1-22-9-14-7-13(22)10-23(14)17-5-4-15(20-21-17)11-2-3-16-12(6-11)8-18-19-16/h2-6,8,13-14H,7,9-10H2,1H3,(H,18,19)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86311 (CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...) Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7| Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304049 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35| Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...				Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319949 (5-(5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C18H19N5/c1-22-10-15-7-14(22)11-23(15)18-9-20-17(8-21-18)12-2-3-16-13(6-12)4-5-19-16/h2-6,8-9,14-15,19H,7,10-11H2,1H3/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319957 (5-(2-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-20-8-14(9-21-18)12-2-3-17-13(6-12)4-5-19-17/h2-6,8-9,15-16,19H,7,10-11H2,1H3/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50319947 ((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyrazin-2-yl)-...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H18N4S/c1-21-10-15-7-14(21)11-22(15)18-9-19-16(8-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,14-15H,7,10-11H2,1H3/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50088454 (1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...) Show SMILES Brc1ccc(cn1)N1CCCNCC1 Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50319954 ((1S,4S)-2-(5-(benzofuran-5-yl)pyrimidin-2-yl)-5-me...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2occc2c1 |r| Show InChI InChI=1S/C18H18N4O/c1-21-10-16-7-15(21)11-22(16)18-19-8-14(9-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,15-16H,7,10-11H2,1H3/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (Rattus norvegicus)	BDBM50092131 (1,7-diazonia-15,21-diazapentacyclo[20.6.2.27,14.08...) Show SMILES C1CCN[c+]2ccn(CCCCCn3cc[c+](NCC1)c1ccccc31)c1ccccc21 Show InChI InChI=1S/C28H34N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h3-6,11-16,21-22,29-30H,1-2,7-10,17-20H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch A/S Curated by ChEMBL					Assay Description Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells				J Med Chem 51: 7625-34 (2009) Article DOI: 10.1021/jm800809f BindingDB Entry DOI: 10.7270/Q28S4QT0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP8 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50319938 ((1S,4S)-2-(6-(benzo[b]thiophen-5-yl)pyridazin-3-yl...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H18N4S/c1-21-10-15-9-14(21)11-22(15)18-5-3-16(19-20-18)12-2-4-17-13(8-12)6-7-23-17/h2-8,14-15H,9-11H2,1H3/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair

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