Compile Data Set for Download or QSAR

Found 784 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4'   

Target (Institution)	Ligand	Target 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 (Homo sapiens (human))	BDBM50187442 (1-(6-bromo-5-(vinyloxy)pyridin-3-yl)-1,5-diazocane...) Show SMILES Brc1ncc(cc1OC=C)N1CCCNCCC1 Show InChI InChI=1S/C13H18BrN3O/c1-2-18-12-9-11(10-16-13(12)14)17-7-3-5-15-6-4-8-17/h2,9-10,15H,1,3-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187445 (1-(6-bromopyridin-3-yl)-1,5-diazocane | 1-(6-bromo...) Show SMILES Brc1ccc(cn1)N1CCCNCCC1 Show InChI InChI=1S/C11H16BrN3/c12-11-4-3-10(9-14-11)15-7-1-5-13-6-2-8-15/h3-4,9,13H,1-2,5-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	0.447	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187455 (1-(6-Bromo-5-vinylpyridin-3-yl)-[1,4]diazepane | 1...) Show SMILES Brc1ncc(cc1OC=C)N1CCCNCC1 Show InChI InChI=1S/C12H16BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h2,8-9,14H,1,3-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	0.646	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088456 (1-(6-Chloro-5-methoxy-pyridin-3-yl)-[1,4]diazepane...) Show SMILES COc1cc(cnc1Cl)N1CCCNCC1 Show InChI InChI=1S/C11H16ClN3O/c1-16-10-7-9(8-14-11(10)12)15-5-2-3-13-4-6-15/h7-8,13H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	0.676	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	0.871	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187447 (1-(pyridin-3-yl)-1,5-diazocane | 1-pyridin-3-yl-[1...) Show SMILES C1CNCCCN(C1)c1cccnc1 Show InChI InChI=1S/C11H17N3/c1-4-11(10-13-5-1)14-8-2-6-12-7-3-9-14/h1,4-5,10,12H,2-3,6-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	0.891	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187439 (1-(5-Methoxypyridin-3-yl)-[1,5]diazocane | 1-(5-me...) Show SMILES COc1cncc(c1)N1CCCNCCC1 Show InChI InChI=1S/C12H19N3O/c1-16-12-8-11(9-14-10-12)15-6-2-4-13-5-3-7-15/h8-10,13H,2-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187438 ((Z)-1-(5-(prop-1-enyloxy)pyridin-3-yl)-1,4-diazepa...) Show SMILES C\C=C/Oc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C13H19N3O/c1-2-8-17-13-9-12(10-15-11-13)16-6-3-4-14-5-7-16/h2,8-11,14H,3-7H2,1H3/b8-2-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1.29	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187441 (1-(5-bromo-6-chloropyridin-3-yl)-1,4-diazepane | 4...) Show SMILES Clc1ncc(cc1Br)N1CCCNCC1 Show InChI InChI=1S/C10H13BrClN3/c11-9-6-8(7-14-10(9)12)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187453 (1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane | 1...) Show SMILES Clc1cc(cnc1Br)N1CCCNCC1 Show InChI InChI=1S/C10H13BrClN3/c11-10-9(12)6-8(7-14-10)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.51	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 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 AffyNet	PDB Article PubMed	n/a	n/a	1.65	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.91	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088457 (1-(5-Methoxy-pyridin-3-yl)-[1,4]diazepane | 1-(5-m...) Show SMILES COc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C11H17N3O/c1-15-11-7-10(8-13-9-11)14-5-2-3-12-4-6-14/h7-9,12H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.91	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187437 (1-(5-chloropyridin-3-yl)-1,5-diazocane | 1-(5-chlo...) Show SMILES Clc1cncc(c1)N1CCCNCCC1 Show InChI InChI=1S/C11H16ClN3/c12-10-7-11(9-14-8-10)15-5-1-3-13-4-2-6-15/h7-9,13H,1-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088443 (1-(5-(2-methoxyethoxy)pyridin-3-yl)-1,4-diazepane ...) Show SMILES COCCOc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C13H21N3O2/c1-17-7-8-18-13-9-12(10-15-11-13)16-5-2-3-14-4-6-16/h9-11,14H,2-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088448 (5-(1,4-diazepan-1-yl)pyridin-3-ol | 5-[1,4]Diazepa...) Show SMILES Oc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C10H15N3O/c14-10-6-9(7-12-8-10)13-4-1-2-11-3-5-13/h6-8,11,14H,1-5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187454 (1-(5-Bromopyridin-3-yl)-[1,5]diazocane | 1-(5-brom...) Show SMILES Brc1cncc(c1)N1CCCNCCC1 Show InChI InChI=1S/C11H16BrN3/c12-10-7-11(9-14-8-10)15-5-1-3-13-4-2-6-15/h7-9,13H,1-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088451 (3-(5-Methoxy-pyridin-3-yl)-9-aza-bicyclo[3.3.1]non...) Show SMILES COc1cncc(c1)C1=CC2CCCC(C1)N2 Show InChI InChI=1S/C14H18N2O/c1-17-14-7-11(8-15-9-14)10-5-12-3-2-4-13(6-10)16-12/h5,7-9,12-13,16H,2-4,6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	3.02	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50143313 ((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...) Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars AffyNet	Article PubMed	n/a	n/a	3.66	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Blockade of Nicotinic acetylcholine receptor alpha4-beta2				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088452 (3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2-ene | 3-...) Show SMILES C1CC2CC(=CC(C1)N2)c1cccnc1 Show InChI InChI=1S/C13H16N2/c1-4-12-7-11(8-13(5-1)15-12)10-3-2-6-14-9-10/h2-3,6-7,9,12-13,15H,1,4-5,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	4.47	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088450 (1-(5-(vinyloxy)pyridin-3-yl)-1,4-diazepane | 1-(5-...) Show SMILES C=COc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C12H17N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h2,8-10,13H,1,3-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50413479 (CHEMBL500726) Show SMILES C1CNCCN(C1)c1cnc2ccccc2c1 Show InChI InChI=1S/C14H17N3/c1-2-5-14-12(4-1)10-13(11-16-14)17-8-3-6-15-7-9-17/h1-2,4-5,10-11,15H,3,6-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	6.61	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088458 (3-(pyridin-3-yl)-8-azabicyclo[3.2.1]oct-3-ene | 3-...) Show SMILES C1CC2NC1CC(=C2)c1cccnc1 Show InChI InChI=1S/C12H14N2/c1-2-9(8-13-5-1)10-6-11-3-4-12(7-10)14-11/h1-2,5-6,8,11-12,14H,3-4,7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	6.76	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088432 (5-(1,4-diazepan-1-yl)nicotinamide | 5-[1,4]Diazepa...) Show SMILES NC(=O)c1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C11H16N4O/c12-11(16)9-6-10(8-14-7-9)15-4-1-2-13-3-5-15/h6-8,13H,1-5H2,(H2,12,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187459 (5-(1,4-diazepan-1-yl)-2-iodopyridin-3-ol | 5-[1,4]...) Show SMILES Oc1cc(cnc1I)N1CCCNCC1 Show InChI InChI=1S/C10H14IN3O/c11-10-9(15)6-8(7-13-10)14-4-1-2-12-3-5-14/h6-7,12,15H,1-5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	21.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088442 (3-(Pyrrolidin-3-yloxy)-pyridine | 3-(pyrrolidin-3-...) Show SMILES C1CC(CN1)Oc1cccnc1 Show InChI InChI=1S/C9H12N2O/c1-2-8(6-10-4-1)12-9-3-5-11-7-9/h1-2,4,6,9,11H,3,5,7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088434 (1-(6-(ethylthio)pyridin-3-yl)-1,4-diazepane | 1-(6...) Show SMILES CCSc1ccc(cn1)N1CCCNCC1 Show InChI InChI=1S/C12H19N3S/c1-2-16-12-5-4-11(10-14-12)15-8-3-6-13-7-9-15/h4-5,10,13H,2-3,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088445 (1-(6-Methoxy-pyridin-3-yl)-[1,4]diazepane | 1-(6-m...) Show SMILES COc1ccc(cn1)N1CCCNCC1 Show InChI InChI=1S/C11H17N3O/c1-15-11-4-3-10(9-13-11)14-7-2-5-12-6-8-14/h3-4,9,12H,2,5-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187436 (1-(6-Bromopyridin-3-yl)-piperazine | 1-(6-bromopyr...) Show SMILES Brc1ccc(cn1)N1CCNCC1 Show InChI InChI=1S/C9H12BrN3/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187448 (1-(6-bromo-5-methoxypyridin-3-yl)piperazine | CHEM...) Show SMILES COc1cc(cnc1Br)N1CCNCC1 Show InChI InChI=1S/C10H14BrN3O/c1-15-9-6-8(7-13-10(9)11)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088431 (3-(Piperidin-3-yloxy)-pyridine | 3-(piperidin-3-yl...) Show SMILES C1CNCC(C1)Oc1cccnc1 Show InChI InChI=1S/C10H14N2O/c1-3-9(7-11-5-1)13-10-4-2-6-12-8-10/h1,3,5,7,10,12H,2,4,6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187434 (1-(5-(vinyloxy)pyridin-3-yl)piperazine | 1-(5-(vin...) Show SMILES C=COc1cncc(c1)N1CCNCC1 Show InChI InChI=1S/C11H15N3O/c1-2-15-11-7-10(8-13-9-11)14-5-3-12-4-6-14/h2,7-9,12H,1,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50267844 (3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylox...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars AffyNet	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-evoked current				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187433 (1-(5-bromo-6-chloropyridin-3-yl)piperazine | CHEMB...) Show SMILES Clc1ncc(cc1Br)N1CCNCC1 Show InChI InChI=1S/C9H11BrClN3/c10-8-5-7(6-13-9(8)11)14-3-1-12-2-4-14/h5-6,12H,1-4H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187449 ((+/-)-3-chloro-5-(piperidin-3-yloxy)-pyridine | 3-...) Show SMILES Clc1cncc(OC2CCCNC2)c1 Show InChI InChI=1S/C10H13ClN2O/c11-8-4-10(7-13-5-8)14-9-2-1-3-12-6-9/h4-5,7,9,12H,1-3,6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50088449 (1-(5-Chloro-pyridin-3-yl)-piperazine | 1-(5-chloro...) Show SMILES Clc1cncc(c1)N1CCNCC1 Show InChI InChI=1S/C9H12ClN3/c10-8-5-9(7-12-6-8)13-3-1-11-2-4-13/h5-7,11H,1-4H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents AffyNet	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50267883 (8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohept...) Show SMILES C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1 Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-evoked current				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50251867 (CHEMBL518310 | N-(3-((6-chloropyridin-3-yl)methyl)...) Show SMILES FC(F)(F)C(=O)\N=c1/sccn1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C11H7ClF3N3OS/c12-8-2-1-7(5-16-8)6-18-3-4-20-10(18)17-9(19)11(13,14)15/h1-5H,6H2/b17-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50187451 (1-(5-chloro-6-methylpyridin-3-yl)piperazine | CHEM...) Show SMILES Cc1ncc(cc1Cl)N1CCNCC1 Show InChI InChI=1S/C10H14ClN3/c1-8-10(11)6-9(7-13-8)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50252631 (CHEMBL494278 | N-(3-((6-chloropyridin-3-yl)methyl)...) Show SMILES Clc1ccc(Cn2ccs\c2=N/C(=O)c2cnccn2)cn1 Show InChI InChI=1S/C14H10ClN5OS/c15-12-2-1-10(7-18-12)9-20-5-6-22-14(20)19-13(21)11-8-16-3-4-17-11/h1-8H,9H2/b19-14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50416396 (CHEMBL1210703) Show SMILES Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1 Show InChI InChI=1S/C23H24N2O2S/c1-16-8-9-20(17(2)14-16)24-22(26)21-15-19(18-6-4-3-5-7-18)23(28-21)25-10-12-27-13-11-25/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human alpha4 nAChR in human IMR32 cells				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50296730 (CHEMBL563848 | phenyl 1,4-diazabicyclo[3.2.2]nonan...) Show SMILES O=C(Oc1ccccc1)N1CCN2CCC1CC2 Show InChI InChI=1S/C14H18N2O2/c17-14(18-13-4-2-1-3-5-13)16-11-10-15-8-6-12(16)7-9-15/h1-5,12H,6-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50296728 (3-fluorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...) Show SMILES Fc1cccc(OC(=O)N2CCN3CCC2CC3)c1 Show InChI InChI=1S/C14H17FN2O2/c15-11-2-1-3-13(10-11)19-14(18)17-9-8-16-6-4-12(17)5-7-16/h1-3,10,12H,4-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50296729 (4-fluorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...) Show SMILES Fc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 Show InChI InChI=1S/C14H17FN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM50413330 (CHEMBL459689) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1 Show InChI InChI=1S/C22H27N3O/c1-23-13-10-18-14-17(7-9-21(18)23)6-8-20-15-19(22(26)24(20)2)16-25-11-4-3-5-12-25/h7,9-10,13-14,19-20H,3-5,11-12,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50296747 (3-benzoyl-4-bromophenyl 1,4-diazabicyclo[3.2.2]non...) Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1 Show InChI InChI=1S/C21H21BrN2O3/c22-19-7-6-17(14-18(19)20(25)15-4-2-1-3-5-15)27-21(26)24-13-12-23-10-8-16(24)9-11-23/h1-7,14,16H,8-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50212288 ((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...) Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				Citation and Details
					More data for this Ligand-Target Pair

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