target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,nicotine,2585,,89594,CN1CCC[C@H]1c1cccnc1,"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",SNICXCGAKADSCV-JTQLQIEISA-N,Agonist,Agonist,α4β2,,,,pKi,,8.66,,Ki,,2.2,,=,"In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine.",,,32026697, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,hexamethonium,3963,,3604,C[N+](CCCCCC[N+](C)(C)C)(C)C,"InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2",VZJFGSRCJCXDSG-UHFFFAOYSA-N,Channel blocker,None,α4β2,,,,pIC50,5.17,,4.54,IC50,29000.0,,6800.0,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,hexamethonium,3963,,3604,C[N+](CCCCCC[N+](C)(C)C)(C)C,"InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2",VZJFGSRCJCXDSG-UHFFFAOYSA-N,Channel blocker,None,α4β4,,,,pIC50,,4.04,,IC50,,91000.0,,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,[125I]epibatidine,3976,,1204,Clc1ccc(cn1)C1CC2NC1CC2,"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",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,Agonist,Full agonist,α4β2,,,,pKd,11.0,,10.48,Kd,0.033,,0.01,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,[125I]epibatidine,3976,,1204,Clc1ccc(cn1)C1CC2NC1CC2,"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",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,Agonist,Full agonist,α4β4,,,,pKd,,9.73,,Kd,,0.187,,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P09483,Rat,[125I]epibatidine,3976,,1204,Clc1ccc(cn1)C1CC2NC1CC2,"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",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,Agonist,Full agonist,α4β2,,,,pKd,9.52,,9.34,Kd,0.46,,0.3,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P09483,Rat,[125I]epibatidine,3976,,1204,Clc1ccc(cn1)C1CC2NC1CC2,"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",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,Agonist,Full agonist,α4β4,,,,pKd,9.07,,9.03,Kd,0.94,,0.85,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,[3H]epibatidine,3977,,1204,Clc1ccc(cn1)C1CC2NC1CC2,"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",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,Agonist,Full agonist,α4β2,,,,pKd,11.0,,10.48,Kd,0.033,,0.01,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,[3H]epibatidine,3977,,1204,Clc1ccc(cn1)C1CC2NC1CC2,"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",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,Agonist,Full agonist,α4β4,,,,pKd,,9.73,,Kd,,0.187,,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P09483,Rat,[3H]epibatidine,3977,,1204,Clc1ccc(cn1)C1CC2NC1CC2,"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",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,Agonist,Full agonist,α4β2,,,,pKd,9.52,,9.34,Kd,0.46,,0.3,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P09483,Rat,[3H]epibatidine,3977,,1204,Clc1ccc(cn1)C1CC2NC1CC2,"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",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,Agonist,Full agonist,α4β4,,,,pKd,9.07,,9.03,Kd,0.94,,0.85,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P09483,Rat,[3H]nicotine,3978,,942,CN1CCCC1c1cccnc1,"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",SNICXCGAKADSCV-UHFFFAOYSA-N,Agonist,Full agonist,α4β2,,,,pKd,,9.4,,Kd,,0.4,,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,[3H]cytisine,3979,,53321937,c1([3H])cc([3H])c(=O)n2c1[C@H]1CNC[C@H](C1)C2,"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/t8-,9+/m0/s1/i2T,3T",ANJTVLIZGCUXLD-ZIAKYUPESA-N,Agonist,Full agonist,α4β4,,,,pKd,,10.0,,Kd,,0.1,,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,[3H]cytisine,3979,,53321937,c1([3H])cc([3H])c(=O)n2c1[C@H]1CNC[C@H](C1)C2,"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/t8-,9+/m0/s1/i2T,3T",ANJTVLIZGCUXLD-ZIAKYUPESA-N,Agonist,Full agonist,α4β2,,,,pKd,9.37,,9.2,Kd,0.63,,0.43,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P09483,Rat,[3H]cytisine,3979,,53321937,c1([3H])cc([3H])c(=O)n2c1[C@H]1CNC[C@H](C1)C2,"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/t8-,9+/m0/s1/i2T,3T",ANJTVLIZGCUXLD-ZIAKYUPESA-N,Agonist,Full agonist,α4β2,,,,pKd,,10.0,,Kd,,0.1,,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,A-867744,3986,,23642319,CCC(=O)c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccc(cc1)Cl,"InChI=1S/C20H19ClN2O3S/c1-3-20(24)18-12-19(14-4-6-15(21)7-5-14)23(13(18)2)16-8-10-17(11-9-16)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)",ABACVOXFUHDKNZ-UHFFFAOYSA-N,Channel blocker,None,α4β2,,,,,,,,,,,,=,,,,19389923, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,TC-2559,3987,,9823180,CNCC/C=C/c1cncc(c1)OCC,"InChI=1S/C12H18N2O/c1-3-15-12-8-11(9-14-10-12)6-4-5-7-13-2/h4,6,8-10,13H,3,5,7H2,1-2H3/b6-4+",HFZDMKMXPGRKCK-GQCTYLIASA-N,Agonist,Full agonist,α4β2,,,,,,,,,,,,=,,,,12871651, nicotinic acetylcholine receptor α4 subunit,465,P09483,Rat,tebanicline,3989,,3075702,Clc1ccc(cn1)OC[C@H]1CCN1,"InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1",MKTAGSRKQIGEBH-SSDOTTSWSA-N,Agonist,Partial agonist,,,,,pKi,,10.43,,Ki,,0.037,,=,,,,9580626, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,mecamylamine,3990,,4032,CNC1(C)C2CCC(C1(C)C)C2,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3",IMYZQPCYWPFTAG-UHFFFAOYSA-N,Channel blocker,None,α4β4,,,,pIC50,6.48,,5.31,IC50,4900.0,,330.0,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,mecamylamine,3990,,4032,CNC1(C)C2CCC(C1(C)C)C2,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3",IMYZQPCYWPFTAG-UHFFFAOYSA-N,Channel blocker,None,α4β2,,,,pIC50,5.44,,5.39,IC50,4100.0,,3600.0,=,,,,, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,LY2087101,3992,,11964458,Fc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cscc1)C,"InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)",PEAMDZVDNYENPN-UHFFFAOYSA-N,Allosteric modulator,Positive,potentiates α4β2 and α4β4,,,,,,,,,,,,=,,,,16738207, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,NS9283,3993,,11998180,N#Cc1cccc(c1)c1onc(n1)c1cccnc1,"InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H",HGFXDSQLRSWUBO-UHFFFAOYSA-N,Allosteric modulator,Positive,α4β2 and α4β4,,,,,,,,,,,,=,,,,21763685, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,rivanicline,3994,,5310967,CNCC/C=C/c1cccnc1,"InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+",JUOSGGQXEBBCJB-GORDUTHDSA-N,Agonist,Agonist,,,,,pKi,,7.6,,Ki,,25.0,,~,Binding affinity for the α4β2 nicotinic acetylcholine receptor.,,,14698195, nicotinic acetylcholine receptor α4 subunit,465,P09483,Rat,rivanicline,3994,,5310967,CNCC/C=C/c1cccnc1,"InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+",JUOSGGQXEBBCJB-GORDUTHDSA-N,Agonist,Agonist,,,,,pKi,,7.59,,Ki,,26.0,,=,,,,8968366, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,NS1738,4000,,310378,O=C(Nc1cc(Cl)ccc1O)Nc1cc(ccc1Cl)C(F)(F)F,"InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)",OUDXRNQPVSMGDW-UHFFFAOYSA-N,Channel blocker,None,α4β2,,,,,,,,,,,,=,,,,17625074, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,varenicline,5459,,5310966,N1C[C@@H]2C[C@H](C1)c1c2cc2c(c1)nccn2,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+",JQSHBVHOMNKWFT-DTORHVGOSA-N,Agonist,Agonist,α4β2,,,,pKi,,10.4,,Ki,,0.04,,=,"In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine.",,,32026697, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,varenicline,5459,,5310966,N1C[C@@H]2C[C@H](C1)c1c2cc2c(c1)nccn2,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+",JQSHBVHOMNKWFT-DTORHVGOSA-N,Agonist,Agonist,,,yes,,pKi,,9.96,,Ki,,0.11,,=,Binding affinity to human nicotinic acetylcholine receptor α4β2 expressed in IMR32 cells using [3H]epibatidine radioligand.,,,16171993, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,atracurium,9537,,47319,COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC,"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2",YXSLJKQTIDHPOT-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,8.1,,7.68,IC50,21.1,,7.9,=,"Antagonism of ACh activation of human α4β2 nACh receptors expressed in Xenopus oocytes, at different ACh concentrations.",,,16931985, nicotinic acetylcholine receptor α4 subunit,465,P43681,Human,SUVN-911,10700,,53236401,Clc1ccc(cn1)OCC1CC2C(N1)C2,"InChI=1S/C11H13ClN2O/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8/h1-2,5,7-8,10,14H,3-4,6H2",PYSCVJMLJRHJGJ-UHFFFAOYSA-N,Antagonist,Antagonist,α4β2,,,,pKi,,8.82,,Ki,,1.5,,=,"In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine.",,,32026697,