BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 50014311 OC(CN1CCN(CC1)c1ccccc1)Cc1ccc(Br)cc1 InChI=1S/C19H23BrN2O/c20-17-8-6-16(7-9-17)14-19(23)15-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9,19,23H,10-15H2 LLFKSJJIEKGMLU-UHFFFAOYSA-N 50009594 1-(4-Bromo-phenyl)-3-(4-phenyl-piperazin-1-yl)-propan-2-ol::CHEMBL87177 Vesicular acetylcholine transporter Torpedo californica 1540 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009594&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15048612 103922583 CHEMBL87177 ZINC13824019 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014312 OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1 InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2 JWLITFDJHOZOEK-UHFFFAOYSA-N 50009595 1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL89812 Vesicular acetylcholine transporter Torpedo californica 328 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009595&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 369967 103922584 CHEMBL89812 ZINC01628491 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014313 OC(CN1CCC(CC1)c1ccccc1)Cc1cccc2ccccc12 InChI=1S/C24H27NO/c26-23(17-22-11-6-10-21-9-4-5-12-24(21)22)18-25-15-13-20(14-16-25)19-7-2-1-3-8-19/h1-12,20,23,26H,13-18H2 KDLBQFMXFIWETI-UHFFFAOYSA-N 50009596 1-Naphthalen-1-yl-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL314881 Vesicular acetylcholine transporter Torpedo californica 1400 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009596&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 369969 103922585 CHEMBL314881 ZINC01628493 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014315 OC1CCCCC1N1CCC(CC1)c1ccccc1 InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2 YSSBJODGIYRAMI-UHFFFAOYSA-N 50018078 2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol([3H]-(-)Vesamicol)::CHEMBL20943::US10421722, Compound Vesamicolb::V-100 Vesicular acetylcholine transporter Torpedo californica 34 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018078&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 5662 103929254 CHEMBL20943 4759 ZINC03173766 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014316 OC(CN1CCC(CC1)c1ccccc1)Cc1cccc(I)c1 InChI=1S/C20H24INO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2 UVPPXDJDDXLXTL-UHFFFAOYSA-N 50009597 1-(3-Iodo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL314574 Vesicular acetylcholine transporter Torpedo californica 73 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009597&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15230466 103922586 CHEMBL314574 ZINC26577529 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014317 OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(O)cc1 InChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)14-20(23)15-21-12-10-18(11-13-21)17-4-2-1-3-5-17/h1-9,18,20,22-23H,10-15H2 NJHGLBCRCUUJMU-UHFFFAOYSA-N 50009599 4-[2-Hydroxy-3-(4-phenyl-piperidin-1-yl)-propyl]-phenol::CHEMBL89896 Vesicular acetylcholine transporter Torpedo californica 220 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009599&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15048615 103922588 CHEMBL89896 ZINC13824031 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014318 OC(CN1CCC(CC1)c1ccccc1)Cc1cccc(O)c1 InChI=1S/C20H25NO2/c22-19-8-4-5-16(13-19)14-20(23)15-21-11-9-18(10-12-21)17-6-2-1-3-7-17/h1-8,13,18,20,22-23H,9-12,14-15H2 GJYBBFYCFSQQJJ-UHFFFAOYSA-N 50009598 3-[2-Hydroxy-3-(4-phenyl-piperidin-1-yl)-propyl]-phenol::CHEMBL88522 Vesicular acetylcholine transporter Torpedo californica 520 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009598&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15048617 103922587 CHEMBL88522 ZINC13824035 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014319 OC(CN1CCC(CC1)c1ccccc1)Cc1ccc2ccccc2c1 InChI=1S/C24H27NO/c26-24(17-19-10-11-21-8-4-5-9-23(21)16-19)18-25-14-12-22(13-15-25)20-6-2-1-3-7-20/h1-11,16,22,24,26H,12-15,17-18H2 ZIQJSOYKHLHRJO-UHFFFAOYSA-N 50009600 1-Naphthalen-2-yl-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL88534 Vesicular acetylcholine transporter Torpedo californica 145 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009600&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 369971 103922589 CHEMBL88534 ZINC01628495 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014320 OC(CN1CCN(CC1)c1ccccc1)Cc1cccc(Br)c1 InChI=1S/C19H23BrN2O/c20-17-6-4-5-16(13-17)14-19(23)15-21-9-11-22(12-10-21)18-7-2-1-3-8-18/h1-8,13,19,23H,9-12,14-15H2 BHBJSXWPIOTVGL-UHFFFAOYSA-N 50009601 1-(3-Bromo-phenyl)-3-(4-phenyl-piperazin-1-yl)-propan-2-ol::CHEMBL89577 Vesicular acetylcholine transporter Torpedo californica 990 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009601&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15048613 103922590 CHEMBL89577 ZINC13824023 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014323 OC(CN1CCC(CC1)c1ccccc1)Cc1cccc(Br)c1 InChI=1S/C20H24BrNO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2 ANCSSFCYCYJZLW-UHFFFAOYSA-N 50009603 1-(3-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL84797 Vesicular acetylcholine transporter Torpedo californica 73 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009603&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15048608 103922592 CHEMBL84797 ZINC13824011 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014324 COc1cccc(CC(O)CN2CCC(CC2)c2ccccc2)c1 InChI=1S/C21H27NO2/c1-24-21-9-5-6-17(15-21)14-20(23)16-22-12-10-19(11-13-22)18-7-3-2-4-8-18/h2-9,15,19-20,23H,10-14,16H2,1H3 ZYKJYXDJZODBAK-UHFFFAOYSA-N 50009604 1-(3-Methoxy-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL90556 Vesicular acetylcholine transporter Torpedo californica 115 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009604&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15048610 103922593 CHEMBL90556 ZINC13824015 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50035068 O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C23H28N2O2/c26-22-13-16-25(23(27)20-9-5-2-6-10-20)17-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1 JAZCWPBIWQFGKP-FGZHOGPDSA-N 50368836 CHEMBL1203885 Vesicular acetylcholine transporter Torpedo californica 34.0 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368836&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10316732 160847938 CHEMBL1203885 ZINC13826421 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50035069 OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1 InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2 JWLITFDJHOZOEK-UHFFFAOYSA-N 50009595 1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL89812 Vesicular acetylcholine transporter Torpedo californica 36.0 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009595&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 369967 103922584 CHEMBL89812 ZINC01628491 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062132 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc21 InChI=1S/C23H24BrNO/c24-22-15-18-7-3-4-8-19(18)23(22)9-11-25(12-10-23)20-13-16-5-1-2-6-17(16)14-21(20)26/h1-8,15,20-21,26H,9-14H2/t20-,21-/m1/s1 QAVMATCJPBGTSO-NHCUHLMSSA-N 50039602 (2R,3R)-3-(2-bromo-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol::CHEMBL406130 Vesicular acetylcholine transporter Torpedo californica 0.41 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039602&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10250990 103946799 CHEMBL406130 ZINC13738162 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062133 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCCc3ccccc23)CC1 InChI=1S/C24H29NO/c26-23-17-20-8-2-1-7-19(20)16-22(23)25-14-12-24(13-15-25)11-5-9-18-6-3-4-10-21(18)24/h1-4,6-8,10,22-23,26H,5,9,11-17H2/t22-,23-/m1/s1 FAZLJWDRYXXPKQ-DHIUTWEWSA-N 50039603 3-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-yl-(2R,3R)-1,2,3,4-tetrahydro-2-naphthalenol::CHEMBL87435 Vesicular acetylcholine transporter Torpedo californica 18.36 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039603&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10450381 103946800 CHEMBL87435 ZINC13738157 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062134 O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1 YSSBJODGIYRAMI-IAGOWNOFSA-N 50018094 (1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol(Vesamicol)::CHEMBL20730::Vesamicol::trans-2-(4-phenylpiperidin-1-yl)cyclohexanol Vesicular acetylcholine transporter Torpedo californica 1 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018094&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 659840 103929270 CHEMBL20730 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062135 O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1 UBVKSFDICLMPLH-DHIUTWEWSA-N 50039604 (+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidinyl-4''-ol::(-)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidinyl-4''-ol::(3''R,4''R)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidinyl-4''-ol::CHEMBL1204210::CHEMBL50880::trans-1-(3-iodobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol Vesicular acetylcholine transporter Torpedo californica 0.063 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039604&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10390222 103946801 CHEMBL1204210CHEMBL50880 4768 ZINC22937396 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062136 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1c2cccc1Br InChI=1S/C23H24BrNO/c24-20-7-3-6-19-18(20)8-9-23(19)10-12-25(13-11-23)21-14-16-4-1-2-5-17(16)15-22(21)26/h1-9,21-22,26H,10-15H2/t21-,22-/m1/s1 GHVUCNXWUFIXCI-FGZHOGPDSA-N 50039605 (2R,3R)-3-{4-bromospiro[indene-1,4'-piperidine]-1'-yl}-1,2,3,4-tetrahydronaphthalen-2-ol::CHEMBL314848 Vesicular acetylcholine transporter Torpedo californica 0.212 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039605&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10454205 103946802 CHEMBL314848 ZINC13738163 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062137 O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1 InChI=1S/C26H33FN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1 RFCNHGNHAMPZOO-JWQCQUIFSA-N 50039606 1-(4-fluorobenzyl)-3-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL86816 Vesicular acetylcholine transporter Torpedo californica 2.6 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039606&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10364121 103946803 CHEMBL86816 ZINC22937430 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062138 O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C25H29IN2O/c26-22-8-4-2-6-20(22)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-19-5-1-3-7-21(19)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1 ABKRNZRWTZVQGQ-DNQXCXABSA-N 50039607 1-(2-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL87214 Vesicular acetylcholine transporter Torpedo californica 0.798 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039607&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10074691 103946804 CHEMBL87214 ZINC22937402 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062139 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C23H25NO/c25-22-16-19-7-2-1-6-18(19)15-21(22)24-13-11-23(12-14-24)10-9-17-5-3-4-8-20(17)23/h1-10,21-22,25H,11-16H2/t21-,22-/m1/s1 QAWALLZHCJCRFW-FGZHOGPDSA-N 50039610 3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(2R,3R)-1,2,3,4-tetrahydro-2-naphthalenol::CHEMBL87595::trans-3-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol Vesicular acetylcholine transporter Torpedo californica 0.121 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039610&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 9862398 103946807 CHEMBL87595 ZINC13738148 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062140 O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC2(CCCc3ccccc23)CC1 InChI=1S/C26H33IN2O/c27-23-10-4-2-7-21(23)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-5-8-20-6-1-3-9-22(20)26/h1-4,6-7,9-10,24-25,30H,5,8,11-19H2/t24-,25-/m1/s1 WVSGZIOZPOCDOF-JWQCQUIFSA-N 50039608 1-(2-iodobenzyl)-3-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL84738 Vesicular acetylcholine transporter Torpedo californica 5.8 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039608&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 11756276 103946805 CHEMBL84738 ZINC22937420 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062141 O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 InChI=1S/C25H31IN2O/c26-21-6-3-4-19(16-21)17-27-13-9-24(29)23(18-27)28-14-11-25(12-15-28)10-8-20-5-1-2-7-22(20)25/h1-7,16,23-24,29H,8-15,17-18H2/t23-,24-/m1/s1 SKMFMSUPYCIHLQ-DNQXCXABSA-N 50039609 1-(3-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL314170 Vesicular acetylcholine transporter Torpedo californica 0.66 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039609&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10436105 103946806 CHEMBL314170 ZINC22043273 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062142 O[C@@H]1CCCC[C@H]1N1CCC2(CCCc3ccccc23)CC1 InChI=1S/C20H29NO/c22-19-10-4-3-9-18(19)21-14-12-20(13-15-21)11-5-7-16-6-1-2-8-17(16)20/h1-2,6,8,18-19,22H,3-5,7,9-15H2/t18-,19-/m1/s1 FVFUENYIYISMCS-RTBURBONSA-N 50039612 (1R,2R)-2-{3,4-dihydro-2H-spiro[naphthalene-1,4'-piperidine]-1'-yl}cyclohexan-1-ol::2-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-yl-(1R,2R)-cyclohexan-1-ol::CHEMBL87652 Vesicular acetylcholine transporter Torpedo californica 24.25 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039612&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10357403 103946809 CHEMBL87652 ZINC13738156 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062143 O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C25H29IN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1 BRQAXBHHLAPYOC-DNQXCXABSA-N 50039611 1-(4-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL88046 Vesicular acetylcholine transporter Torpedo californica 0.762 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039611&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10051690 103946808 CHEMBL88046 ZINC22937405 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062144 O[C@@H]1CCCC[C@H]1N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C19H25NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,9-10,17-18,21H,3-4,7-8,11-14H2/t17-,18-/m1/s1 FEEFZGDKGSHQMH-QZTJIDSGSA-N 50039615 2-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(1R,2R)-cyclohexan-1-ol::CHEMBL87287::trans-2-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)cyclohexanol Vesicular acetylcholine transporter Torpedo californica 6.93 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039615&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10039489 103946812 CHEMBL87287 ZINC13738147 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062145 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1cc(Br)ccc21 InChI=1S/C23H24BrNO/c24-19-5-6-20-18(13-19)7-8-23(20)9-11-25(12-10-23)21-14-16-3-1-2-4-17(16)15-22(21)26/h1-8,13,21-22,26H,9-12,14-15H2/t21-,22-/m1/s1 XRYXFWWBKXQTHR-FGZHOGPDSA-N 50039614 (2R,3R)-3-(5-bromo-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol::CHEMBL431223 Vesicular acetylcholine transporter Torpedo californica 0.271 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039614&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10047150 103946811 CHEMBL431223 ZINC13738165 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062146 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1 UUCLSDHQYDLBNN-NHCUHLMSSA-N 50039613 (2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol::Benzovesamicol::CHEMBL87379::trans-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol Vesicular acetylcholine transporter Torpedo californica 0.055 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039613&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15925918 103946810 CHEMBL87379 ZINC13738143 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062147 O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 InChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1 BXJUXLMPTUNFRY-DNQXCXABSA-N 50039617 1-(4-fluorobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL87414 Vesicular acetylcholine transporter Torpedo californica 0.36 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039617&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10069224 103946814 CHEMBL87414 ZINC22937417 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062148 O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C25H29FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1 XIPWKUWYGVRFON-DNQXCXABSA-N 50039616 1-(4-fluorobenzyl)-3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL87693 Vesicular acetylcholine transporter Torpedo californica 0.248 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039616&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10249951 103946813 CHEMBL87693 ZINC22877175 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062149 O[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc23)CC1 InChI=1S/C19H27NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,17-18,21H,3-4,7-14H2/t17-,18-/m1/s1 OZRJHGKKLPXGID-QZTJIDSGSA-N 50039618 (1R,2R)-2-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)cyclohexanol::2-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(1R,2R)-cyclohexan-1-ol::CHEMBL315146::trans-2-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)cyclohexanol Vesicular acetylcholine transporter Torpedo californica 7.59 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039618&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10334147 103946815 CHEMBL315146 ZINC13738151 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062150 O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1 InChI=1S/C26H33IN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1 MULZPIOQULINQG-JWQCQUIFSA-N 50039620 1-(4-iodobenzyl)-3-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL87232 Vesicular acetylcholine transporter Torpedo californica 0.638 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039620&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10414185 103946817 CHEMBL87232 ZINC22937426 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062151 O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1 InChI=1S/C26H33IN2O/c27-22-8-3-5-20(17-22)18-28-14-10-25(30)24(19-28)29-15-12-26(13-16-29)11-4-7-21-6-1-2-9-23(21)26/h1-3,5-6,8-9,17,24-25,30H,4,7,10-16,18-19H2/t24-,25-/m1/s1 KOIJWARRGDEZPX-JWQCQUIFSA-N 50039619 1-(3-iodobenzyl)-3-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL315226 Vesicular acetylcholine transporter Torpedo californica 0.856 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039619&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 190926 103946816 CHEMBL315226 ZINC22937423 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062152 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCc3ccccc23)CC1 InChI=1S/C23H27NO/c25-22-16-19-7-2-1-6-18(19)15-21(22)24-13-11-23(12-14-24)10-9-17-5-3-4-8-20(17)23/h1-8,21-22,25H,9-16H2/t21-,22-/m1/s1 SFYGCLVHZQJRQJ-FGZHOGPDSA-N 50039621 3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(2R,3R)-1,2,3,4-tetrahydro-2-naphthalenol::CHEMBL87594 Vesicular acetylcholine transporter Torpedo californica 0.36 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039621&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 3083476 103946818 CHEMBL87594 ZINC13738152 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062153 Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1 InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20-,21-/m1/s1 CELYMPNBUOGKMD-NHCUHLMSSA-N 50039623 (2R,3R)-5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol::CHEMBL87381 Vesicular acetylcholine transporter Torpedo californica 0.0065 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039623&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10019050 103946820 CHEMBL87381 ZINC13738142 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062154 O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29IN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1 YMWBVQMSDARHQG-DHIUTWEWSA-N 50039622 (3'R,4'R)-1'-(4-Iodo-benzyl)-4-phenyl-[1,3']bipiperidinyl-4'-ol::CHEMBL86366 Vesicular acetylcholine transporter Torpedo californica 0.05 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039622&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10096519 103946819 CHEMBL86366 ZINC22937399 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062155 O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 InChI=1S/C25H31IN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1 CNWRMMVDPFBJGC-DNQXCXABSA-N 50039624 1-(4-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL314687 Vesicular acetylcholine transporter Torpedo californica 0.8 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039624&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10481155 103946821 CHEMBL314687 ZINC22937413 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062156 O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C25H29IN2O/c26-21-6-3-4-19(16-21)17-27-13-9-24(29)23(18-27)28-14-11-25(12-15-28)10-8-20-5-1-2-7-22(20)25/h1-8,10,16,23-24,29H,9,11-15,17-18H2/t23-,24-/m1/s1 ZGXOBWFJJNNSCM-DNQXCXABSA-N 50039627 1-(3-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL86983 Vesicular acetylcholine transporter Torpedo californica 0.264 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039627&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10097487 103946824 CHEMBL86983 ZINC22043277 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062157 O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29IN2O/c24-21-9-5-4-8-20(21)16-25-13-12-23(27)22(17-25)26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-9,19,22-23,27H,10-17H2/t22-,23-/m1/s1 XINFNSXRSZWCFG-DHIUTWEWSA-N 50039628 (3'R,4'R)-1'-(2-Iodo-benzyl)-4-phenyl-[1,3']bipiperidinyl-4'-ol::CHEMBL313710 Vesicular acetylcholine transporter Torpedo californica 0.147 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039628&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 44320744 103946825 CHEMBL313710 ZINC22937391 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062158 O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1N1CCC2(CCc3ccccc23)CC1 InChI=1S/C25H31IN2O/c26-22-8-4-2-6-20(22)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-19-5-1-3-7-21(19)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1 QQNIETARODWQCM-DNQXCXABSA-N 50039625 1-(2-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL431413 Vesicular acetylcholine transporter Torpedo californica 0.98 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039625&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 9983525 103946822 CHEMBL431413 ZINC22937409 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062159 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1ccc(Br)cc21 InChI=1S/C23H24BrNO/c24-19-6-5-16-7-8-23(20(16)15-19)9-11-25(12-10-23)21-13-17-3-1-2-4-18(17)14-22(21)26/h1-8,15,21-22,26H,9-14H2/t21-,22-/m1/s1 RNDYFUDMQKJKSU-FGZHOGPDSA-N 50039626 (2R,3R)-3-(6-bromo-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol::CHEMBL424241 Vesicular acetylcholine transporter Torpedo californica 1.4 ChEMBL 10.1021/jm00042a010 10.7270/Q2HH6J44 8057300 Efange, SM; Khare, AB; Foulon, C; Akella, SK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039626&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10454206 103946823 CHEMBL424241 ZINC13738164 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062808 O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C23H28N2O2/c26-22-13-16-25(23(27)20-9-5-2-6-10-20)17-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1 JAZCWPBIWQFGKP-FGZHOGPDSA-N 50368836 CHEMBL1203885 Vesicular acetylcholine transporter Torpedo californica 34.0 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368836&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10316732 160847938 CHEMBL1203885 ZINC13826421 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50062813 OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1 InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2 JWLITFDJHOZOEK-UHFFFAOYSA-N 50009595 1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL89812 Vesicular acetylcholine transporter Torpedo californica 36.0 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009595&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 369967 103922584 CHEMBL89812 ZINC01628491 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50354961 O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1 YSSBJODGIYRAMI-IAGOWNOFSA-N 50018094 (1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol(Vesamicol)::CHEMBL20730::Vesamicol::trans-2-(4-phenylpiperidin-1-yl)cyclohexanol Vesicular acetylcholine transporter Torpedo californica 1.000000 ChEMBL 10.1016/j.ejmech.2015.05.033 10.7270/Q28C9XZ1 26071858 Barthel, C; Sorger, D; Deuther-Conrad, W; Scheunemann, M; Schweiger, S; Jäckel, P; Roghani, A; Steinbach, J; Schüürmann, G; Sabri, O; Brust, P; Wenzel, B Institute of Radiopharmaceutical Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018094&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 659840 103929270 CHEMBL20730 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50354962 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 InChI=1S/C22H24FNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1 NIXIHSCMKWWEOU-NHCUHLMSSA-N 50292907 (+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)methanone::(+/-)-trans-2-Hydroxy-3-(4-(4-fluorobenzoyl)piperidino)tetralin::(-)-trans(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)methanone::CHEMBL473129 Vesicular acetylcholine transporter Torpedo californica 2.7 ChEMBL 10.1016/j.ejmech.2015.05.033 10.7270/Q28C9XZ1 26071858 Barthel, C; Sorger, D; Deuther-Conrad, W; Scheunemann, M; Schweiger, S; Jäckel, P; Roghani, A; Steinbach, J; Schüürmann, G; Sabri, O; Brust, P; Wenzel, B Institute of Radiopharmaceutical Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292907&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 25233586 104134458 CHEMBL473129 ZINC40403384 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50354963 O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1 WDSUJLJJGGFILI-IAGOWNOFSA-N 50095010 CHEMBL264437 Vesicular acetylcholine transporter Torpedo californica 0.340000 ChEMBL 10.1016/j.ejmech.2015.05.033 10.7270/Q28C9XZ1 26071858 Barthel, C; Sorger, D; Deuther-Conrad, W; Scheunemann, M; Schweiger, S; Jäckel, P; Roghani, A; Steinbach, J; Schüürmann, G; Sabri, O; Brust, P; Wenzel, B Institute of Radiopharmaceutical Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095010&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 44450421 318473586 CHEMBL264437 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50354964 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1 UUCLSDHQYDLBNN-NHCUHLMSSA-N 50039613 (2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol::Benzovesamicol::CHEMBL87379::trans-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol Vesicular acetylcholine transporter Torpedo californica 0.055000 ChEMBL 10.1016/j.ejmech.2015.05.033 10.7270/Q28C9XZ1 26071858 Barthel, C; Sorger, D; Deuther-Conrad, W; Scheunemann, M; Schweiger, S; Jäckel, P; Roghani, A; Steinbach, J; Schüürmann, G; Sabri, O; Brust, P; Wenzel, B Institute of Radiopharmaceutical Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039613&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15925918 103946810 CHEMBL87379 ZINC13738143 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50354965 Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1 InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20-,21-/m1/s1 CELYMPNBUOGKMD-NHCUHLMSSA-N 50039623 (2R,3R)-5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol::CHEMBL87381 Vesicular acetylcholine transporter Torpedo californica 0.013000 ChEMBL 10.1016/j.ejmech.2015.05.033 10.7270/Q28C9XZ1 26071858 Barthel, C; Sorger, D; Deuther-Conrad, W; Scheunemann, M; Schweiger, S; Jäckel, P; Roghani, A; Steinbach, J; Schüürmann, G; Sabri, O; Brust, P; Wenzel, B Institute of Radiopharmaceutical Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039623&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10019050 103946820 CHEMBL87381 ZINC13738142 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50354966 O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 InChI=1S/C18H24FNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1 DLVFFQFYLIFWPT-IAGOWNOFSA-N 50378717 CHEMBL1204031 Vesicular acetylcholine transporter Torpedo californica 423 ChEMBL 10.1016/j.ejmech.2015.05.033 10.7270/Q28C9XZ1 26071858 Barthel, C; Sorger, D; Deuther-Conrad, W; Scheunemann, M; Schweiger, S; Jäckel, P; Roghani, A; Steinbach, J; Schüürmann, G; Sabri, O; Brust, P; Wenzel, B Institute of Radiopharmaceutical Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378717&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197007 160857800 CHEMBL1204031 ZINC49068208 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767095 O[C@@H]1CNCC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C16H24N2O/c19-16-12-17-9-6-15(16)18-10-7-14(8-11-18)13-4-2-1-3-5-13/h1-5,14-17,19H,6-12H2/t15-,16-/m1/s1 GDQKQTGEWZODND-HZPDHXFCSA-N 50368831 CHEMBL1203888 Vesicular acetylcholine transporter Torpedo californica 5000 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368831&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10400400 160847933 CHEMBL1203888 ZINC13826417 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767097 O[C@@H]1CCN(Cc2cccc(F)c2)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29FN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1 FNHDMTYIIRZGIF-DHIUTWEWSA-N 50368832 CHEMBL1203917 Vesicular acetylcholine transporter Torpedo californica 31 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368832&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 9999115 160847934 CHEMBL1203917 ZINC22940526 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767098 O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccc(I)cc1 InChI=1S/C23H27IN2O2/c24-20-8-6-19(7-9-20)23(28)26-15-12-22(27)21(16-26)25-13-10-18(11-14-25)17-4-2-1-3-5-17/h1-9,18,21-22,27H,10-16H2/t21-,22-/m1/s1 KJJJAGHYHMCMBA-FGZHOGPDSA-N 50368833 CHEMBL1203897 Vesicular acetylcholine transporter Torpedo californica 22 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368833&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10051245 160847935 CHEMBL1203897 ZINC13826427 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767099 Cc1ccccc1CN1CC[C@@H](O)[C@@H](C1)N1CCC(CC1)c1ccccc1 InChI=1S/C24H32N2O/c1-19-7-5-6-10-22(19)17-25-14-13-24(27)23(18-25)26-15-11-21(12-16-26)20-8-3-2-4-9-20/h2-10,21,23-24,27H,11-18H2,1H3/t23-,24-/m1/s1 CCTPGUQMKQKYAJ-DNQXCXABSA-N 50368834 CHEMBL1203907 Vesicular acetylcholine transporter Torpedo californica 25 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368834&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 9998882 160847936 CHEMBL1203907 ZINC22940532 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767100 O[C@@H]1CN(CC[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C23H28N2O2/c26-22-17-25(23(27)20-9-5-2-6-10-20)16-13-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1 XFKFFRIWWQUUHS-FGZHOGPDSA-N 50368835 CHEMBL1203884 Vesicular acetylcholine transporter Torpedo californica 1900 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368835&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10090195 160847937 CHEMBL1203884 ZINC13826419 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767104 O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1 UBVKSFDICLMPLH-DHIUTWEWSA-N 50039604 (+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidinyl-4''-ol::(-)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidinyl-4''-ol::(3''R,4''R)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidinyl-4''-ol::CHEMBL1204210::CHEMBL50880::trans-1-(3-iodobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol Vesicular acetylcholine transporter Torpedo californica 26 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039604&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10390222 103946801 CHEMBL1204210CHEMBL50880 4768 ZINC22937396 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767105 O[C@@H]1CCN(Cc2cccc(Br)c2)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29BrN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1 ZEMBWVDOGWEBQY-DHIUTWEWSA-N 50368838 CHEMBL1203910 Vesicular acetylcholine transporter Torpedo californica 21 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368838&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10320425 160847940 CHEMBL1203910 ZINC22940529 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767106 O[C@@H]1CCN(Cc2ccccc2)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H30N2O/c26-23-13-14-24(17-19-7-3-1-4-8-19)18-22(23)25-15-11-21(12-16-25)20-9-5-2-6-10-20/h1-10,21-23,26H,11-18H2/t22-,23-/m1/s1 LZBZIQZKGCPNJP-DHIUTWEWSA-N 50368839 CHEMBL1203889 Vesicular acetylcholine transporter Torpedo californica 30 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368839&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10247331 160847941 CHEMBL1203889 ZINC22940514 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767107 Cc1cccc(CN2CC[C@@H](O)[C@@H](C2)N2CCC(CC2)c2ccccc2)c1 InChI=1S/C24H32N2O/c1-19-6-5-7-20(16-19)17-25-13-12-24(27)23(18-25)26-14-10-22(11-15-26)21-8-3-2-4-9-21/h2-9,16,22-24,27H,10-15,17-18H2,1H3/t23-,24-/m1/s1 AOZCHKRVWHUCEP-DNQXCXABSA-N 50368840 CHEMBL1203906 Vesicular acetylcholine transporter Torpedo californica 22 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368840&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10451433 160847942 CHEMBL1203906 ZINC22940535 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767108 O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1 HPZHSYBCGLDRCT-DHIUTWEWSA-N 50368841 CHEMBL1204343 Vesicular acetylcholine transporter Torpedo californica 14 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368841&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 9999116 160847943 CHEMBL1204343 ZINC22877026 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767109 O[C@@H]1CN(Cc2ccccc2Br)CC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29BrN2O/c24-21-9-5-4-8-20(21)16-25-13-12-22(23(27)17-25)26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-9,19,22-23,27H,10-17H2/t22-,23-/m1/s1 MIDWFFPRYSZFDR-DHIUTWEWSA-N 50368842 CHEMBL1203896 Vesicular acetylcholine transporter Torpedo californica 55 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368842&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10387913 160847944 CHEMBL1203896 ZINC28014368 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767110 O[C@@H]1CCN(Cc2ccccc2Br)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29BrN2O/c24-21-9-5-4-8-20(21)16-25-13-12-23(27)22(17-25)26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-9,19,22-23,27H,10-17H2/t22-,23-/m1/s1 OEGBCLPXHDMCSN-DHIUTWEWSA-N 50368843 CHEMBL1203913 Vesicular acetylcholine transporter Torpedo californica 22 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368843&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10477720 160847945 CHEMBL1203913 ZINC22940516 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767111 O[C@@H]1CCN(Cc2ccccc2F)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29FN2O/c24-21-9-5-4-8-20(21)16-25-13-12-23(27)22(17-25)26-14-10-19(11-15-26)18-6-2-1-3-7-18/h1-9,19,22-23,27H,10-17H2/t22-,23-/m1/s1 UIBKBSMAUROHNN-DHIUTWEWSA-N 50368844 CHEMBL1203881 Vesicular acetylcholine transporter Torpedo californica 42 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368844&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10090442 160847946 CHEMBL1203881 ZINC22940523 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767112 O[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H30N2O/c26-23-18-24(17-19-7-3-1-4-8-19)14-13-22(23)25-15-11-21(12-16-25)20-9-5-2-6-10-20/h1-10,21-23,26H,11-18H2/t22-,23-/m1/s1 PLPWNYAZCNHLCF-DHIUTWEWSA-N 50368845 CHEMBL1203911 Vesicular acetylcholine transporter Torpedo californica 83 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368845&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 11725461 160847947 CHEMBL1203911 ZINC28100155 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767113 O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1cccc(I)c1 InChI=1S/C23H27IN2O2/c24-20-8-4-7-19(15-20)23(28)26-14-11-22(27)21(16-26)25-12-9-18(10-13-25)17-5-2-1-3-6-17/h1-8,15,18,21-22,27H,9-14,16H2/t21-,22-/m1/s1 LDCPEKVAOMAVNC-FGZHOGPDSA-N 50368846 CHEMBL1203905 Vesicular acetylcholine transporter Torpedo californica 39 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368846&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10368287 160847948 CHEMBL1203905 ZINC13826425 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767114 Cc1ccc(CN2CC[C@@H](O)[C@@H](C2)N2CCC(CC2)c2ccccc2)cc1 InChI=1S/C24H32N2O/c1-19-7-9-20(10-8-19)17-25-14-13-24(27)23(18-25)26-15-11-22(12-16-26)21-5-3-2-4-6-21/h2-10,22-24,27H,11-18H2,1H3/t23-,24-/m1/s1 OQKNKMKMLVTZFW-DNQXCXABSA-N 50368847 CHEMBL1203903 Vesicular acetylcholine transporter Torpedo californica 24 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368847&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10406492 160847949 CHEMBL1203903 ZINC22940538 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767115 O[C@@H]1CCN(Cc2ccc(Br)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29BrN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1 JFAILNOJNZLKRI-DHIUTWEWSA-N 50046960 1'-(4-Bromo-benzyl)-4-phenyl-[1,3']bipiperidinyl-4'-ol::CHEMBL177791 Vesicular acetylcholine transporter Torpedo californica 25 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50046960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50046960&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10455300 103977648 CHEMBL177791 ZINC22940520 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767116 O[C@@H]1CCNC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C16H24N2O/c19-16-6-9-17-12-15(16)18-10-7-14(8-11-18)13-4-2-1-3-5-13/h1-5,14-17,19H,6-12H2/t15-,16-/m1/s1 XUPDJGDKEAPXHU-HZPDHXFCSA-N 50046961 (3'R,4'R)-4-Phenyl-[1,3']bipiperidinyl-4'-ol::CHEMBL1204310::CHEMBL94733 Vesicular acetylcholine transporter Torpedo californica 2900 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50046961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50046961&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 9859994 103977649 CHEMBL1204310CHEMBL94733 ZINC33994963 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767117 O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1 YSSBJODGIYRAMI-IAGOWNOFSA-N 50018094 (1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol(Vesamicol)::CHEMBL20730::Vesamicol::trans-2-(4-phenylpiperidin-1-yl)cyclohexanol Vesicular acetylcholine transporter Torpedo californica 34 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018094&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 659840 103929270 CHEMBL20730 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767118 O[C@@H]1CN(Cc2ccc(Br)cc2)CC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C23H29BrN2O/c24-21-8-6-18(7-9-21)16-25-13-12-22(23(27)17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1 UFYZTEDPKSXMMC-DHIUTWEWSA-N 50368849 CHEMBL1203912 Vesicular acetylcholine transporter Torpedo californica 310 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368849&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10410357 160847951 CHEMBL1203912 ZINC28100159 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767119 O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)c1ccc(cc1)[N+]([O-])=O InChI=1S/C22H27N3O3/c26-22-12-15-24(19-6-8-20(9-7-19)25(27)28)16-21(22)23-13-10-18(11-14-23)17-4-2-1-3-5-17/h1-9,18,21-22,26H,10-16H2/t21-,22-/m1/s1 BVOPXFGHAAKNLP-FGZHOGPDSA-N 50368850 CHEMBL1203882 Vesicular acetylcholine transporter Torpedo californica 290 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368850&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10385187 160847952 CHEMBL1203882 ZINC13826447 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50767120 O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1I InChI=1S/C23H27IN2O2/c24-20-9-5-4-8-19(20)23(28)26-15-12-22(27)21(16-26)25-13-10-18(11-14-25)17-6-2-1-3-7-17/h1-9,18,21-22,27H,10-16H2/t21-,22-/m1/s1 JSINBSDSVJXZGO-FGZHOGPDSA-N 50368851 CHEMBL1203900 Vesicular acetylcholine transporter Torpedo californica 250 ChEMBL 10.1021/jm00060a005 10.7270/Q2R49RDQ 8478910 Efange, SM; Khare, A; Parsons, SM; Bau, R; Metzenthin, T University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368851&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 10435671 160847953 CHEMBL1203900 ZINC13826423 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911059 O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1 YSSBJODGIYRAMI-IAGOWNOFSA-N 50018094 (1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol::2-(4-Phenyl-piperidin-1-yl)-cyclohexanol(Vesamicol)::CHEMBL20730::Vesamicol::trans-2-(4-phenylpiperidin-1-yl)cyclohexanol Vesicular acetylcholine transporter Torpedo californica 2 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018094&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 659840 103929270 CHEMBL20730 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911060 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1 UUCLSDHQYDLBNN-NHCUHLMSSA-N 50039613 (2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol::Benzovesamicol::CHEMBL87379::trans-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol Vesicular acetylcholine transporter Torpedo californica 0.055 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039613&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15925918 103946810 CHEMBL87379 ZINC13738143 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911061 CCC(=O)C1(CCN(CC1)[C@@H]1CCCC[C@H]1O)c1ccccc1 InChI=1S/C20H29NO2/c1-2-19(23)20(16-8-4-3-5-9-16)12-14-21(15-13-20)17-10-6-7-11-18(17)22/h3-5,8-9,17-18,22H,2,6-7,10-15H2,1H3/t17-,18-/m1/s1 GSPDXSBHKVFVGG-QZTJIDSGSA-N 50314851 1-(1-((1R,2R)-2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl)propan-1-one::CHEMBL1092295 Vesicular acetylcholine transporter Torpedo californica 50 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314851&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 15925772 104149212 CHEMBL1092295 ZINC28233965 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911062 O[C@@H]1CCCC[C@H]1N1CCC(CC1)(C(=O)c1ccccc1)c1ccccc1 InChI=1S/C24H29NO2/c26-22-14-8-7-13-21(22)25-17-15-24(16-18-25,20-11-5-2-6-12-20)23(27)19-9-3-1-4-10-19/h1-6,9-12,21-22,26H,7-8,13-18H2/t21-,22-/m1/s1 KLTMHKXCCKSCIV-FGZHOGPDSA-N 50378712 CHEMBL1204026 Vesicular acetylcholine transporter Torpedo californica 68.5 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378712&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46196681 160857795 CHEMBL1204026 ZINC49112724 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911063 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)(C(=O)c1ccccc1)c1ccccc1 InChI=1S/C28H29NO2/c30-26-20-23-12-8-7-11-22(23)19-25(26)29-17-15-28(16-18-29,24-13-5-2-6-14-24)27(31)21-9-3-1-4-10-21/h1-14,25-26,30H,15-20H2/t25-,26-/m1/s1 ZINMAVWMOCKSRF-CLJLJLNGSA-N 50378713 CHEMBL1204027 Vesicular acetylcholine transporter Torpedo californica 1.64 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378713&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46196896 160857796 CHEMBL1204027 ZINC49071536 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911064 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)(C(=O)c1ccc(F)cc1)c1ccccc1 InChI=1S/C28H28FNO2/c29-24-12-10-20(11-13-24)27(32)28(23-8-2-1-3-9-23)14-16-30(17-15-28)25-18-21-6-4-5-7-22(21)19-26(25)31/h1-13,25-26,31H,14-19H2/t25-,26-/m1/s1 JYKKXZWIXQKXKL-CLJLJLNGSA-N 50378714 CHEMBL1204028 Vesicular acetylcholine transporter Torpedo californica 1.83 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378714&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46196897 160857797 CHEMBL1204028 ZINC49068883 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911065 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)(C(=O)Cc1ccccc1)c1ccccc1 InChI=1S/C29H31NO2/c31-27-21-24-12-8-7-11-23(24)20-26(27)30-17-15-29(16-18-30,25-13-5-2-6-14-25)28(32)19-22-9-3-1-4-10-22/h1-14,26-27,31H,15-21H2/t26-,27-/m1/s1 ULQYUDFERVDZPP-KAYWLYCHSA-N 50378715 CHEMBL1204029 Vesicular acetylcholine transporter Torpedo californica 1.38 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378715&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46196898 160857798 CHEMBL1204029 ZINC49071702 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911066 O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccccc1 InChI=1S/C18H25NO2/c20-17-9-5-4-8-16(17)19-12-10-15(11-13-19)18(21)14-6-2-1-3-7-14/h1-3,6-7,15-17,20H,4-5,8-13H2/t16-,17-/m1/s1 ZWKJKCZUYWOVIN-IAGOWNOFSA-N 50378716 CHEMBL1204030 Vesicular acetylcholine transporter Torpedo californica 650 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378716&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197006 160857799 CHEMBL1204030 ZINC49071704 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911067 O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 InChI=1S/C18H24FNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1 DLVFFQFYLIFWPT-IAGOWNOFSA-N 50378717 CHEMBL1204031 Vesicular acetylcholine transporter Torpedo californica 423 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378717&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197007 160857800 CHEMBL1204031 ZINC49068208 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911068 O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)cc1 InChI=1S/C18H24BrNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1 SMOCSSMOCXIMPM-IAGOWNOFSA-N 50378718 CHEMBL1204032 Vesicular acetylcholine transporter Torpedo californica 51.4 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378718&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197008 160857801 CHEMBL1204032 ZINC49068429 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911069 O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1cccs1 InChI=1S/C16H23NO2S/c18-14-5-2-1-4-13(14)17-9-7-12(8-10-17)16(19)15-6-3-11-20-15/h3,6,11-14,18H,1-2,4-5,7-10H2/t13-,14-/m1/s1 QAYXQIGTJWPFBG-ZIAGYGMSSA-N 50378719 CHEMBL1204033 Vesicular acetylcholine transporter Torpedo californica 763 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378719&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197119 160857802 CHEMBL1204033 ZINC49068431 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911070 O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)s1 InChI=1S/C16H22BrNO2S/c17-15-6-5-14(21-15)16(20)11-7-9-18(10-8-11)12-3-1-2-4-13(12)19/h5-6,11-13,19H,1-4,7-10H2/t12-,13-/m1/s1 AZRFRGNTYLSATA-CHWSQXEVSA-N 50378720 CHEMBL1204034 Vesicular acetylcholine transporter Torpedo californica 46.8 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378720&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197120 160857803 CHEMBL1204034 ZINC49068433 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911071 O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(I)s1 InChI=1S/C16H22INO2S/c17-15-6-5-14(21-15)16(20)11-7-9-18(10-8-11)12-3-1-2-4-13(12)19/h5-6,11-13,19H,1-4,7-10H2/t12-,13-/m1/s1 BQUMPXRHNJMTFX-CHWSQXEVSA-N 50378721 CHEMBL1204035 Vesicular acetylcholine transporter Torpedo californica 560 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378721&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197121 160857804 CHEMBL1204035 ZINC49070889 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911072 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1cccs1 InChI=1S/C20H23NO2S/c22-18-13-16-5-2-1-4-15(16)12-17(18)21-9-7-14(8-10-21)20(23)19-6-3-11-24-19/h1-6,11,14,17-18,22H,7-10,12-13H2/t17-,18-/m1/s1 PHYRNGCRKRQFNH-QZTJIDSGSA-N 50314878 CHEMBL1089205::CHEMBL1204036 Vesicular acetylcholine transporter Torpedo californica 5 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314878&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197218 104149239 CHEMBL1089205CHEMBL1204036 ZINC49068009 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911073 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)s1 InChI=1S/C20H22BrNO2S/c21-19-6-5-18(25-19)20(24)13-7-9-22(10-8-13)16-11-14-3-1-2-4-15(14)12-17(16)23/h1-6,13,16-17,23H,7-12H2/t16-,17-/m1/s1 HEIYORQOTBTUHY-IAGOWNOFSA-N 50378723 CHEMBL1204037 Vesicular acetylcholine transporter Torpedo californica 0.54 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378723&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197219 160857806 CHEMBL1204037 ZINC49112286 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911074 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(I)s1 InChI=1S/C20H22INO2S/c21-19-6-5-18(25-19)20(24)13-7-9-22(10-8-13)16-11-14-3-1-2-4-15(14)12-17(16)23/h1-6,13,16-17,23H,7-12H2/t16-,17-/m1/s1 HCBFOCKPCRRNTE-IAGOWNOFSA-N 50378724 CHEMBL1204038 Vesicular acetylcholine transporter Torpedo californica 0.66 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378724&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197220 160857807 CHEMBL1204038 ZINC49072064 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911075 Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1ccc(F)cc1 InChI=1S/C22H25FN2O2/c23-17-6-4-14(5-7-17)22(27)15-8-10-25(11-9-15)20-13-18-16(12-21(20)26)2-1-3-19(18)24/h1-7,15,20-21,26H,8-13,24H2/t20-,21-/m1/s1 UJVVWLDFOHEJIT-NHCUHLMSSA-N 50378725 CHEMBL1204039 Vesicular acetylcholine transporter Torpedo californica 2.4 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378725&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197328 160857808 CHEMBL1204039 ZINC49072092 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911076 Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1ccc(Br)cc1 InChI=1S/C22H25BrN2O2/c23-17-6-4-14(5-7-17)22(27)15-8-10-25(11-9-15)20-13-18-16(12-21(20)26)2-1-3-19(18)24/h1-7,15,20-21,26H,8-13,24H2/t20-,21-/m1/s1 YZOAQWIBHPFHBP-NHCUHLMSSA-N 50378726 CHEMBL1204040 Vesicular acetylcholine transporter Torpedo californica 0.53 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378726&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197329 160857809 CHEMBL1204040 ZINC49072094 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911077 Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1cccs1 InChI=1S/C20H24N2O2S/c21-16-4-1-3-14-11-18(23)17(12-15(14)16)22-8-6-13(7-9-22)20(24)19-5-2-10-25-19/h1-5,10,13,17-18,23H,6-9,11-12,21H2/t17-,18-/m1/s1 AJBXLAOVKALTRM-QZTJIDSGSA-N 50378727 CHEMBL1204041 Vesicular acetylcholine transporter Torpedo californica 4.9 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378727&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197330 160857810 CHEMBL1204041 ZINC49066490 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911078 Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1ccc(Br)s1 InChI=1S/C20H23BrN2O2S/c21-19-5-4-18(26-19)20(25)12-6-8-23(9-7-12)16-11-14-13(10-17(16)24)2-1-3-15(14)22/h1-5,12,16-17,24H,6-11,22H2/t16-,17-/m1/s1 BKGALIBHPCZFDI-IAGOWNOFSA-N 50378728 CHEMBL1204042 Vesicular acetylcholine transporter Torpedo californica 0.41 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378728&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197331 160857811 CHEMBL1204042 ZINC49112413 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911079 Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)C(=O)c1ccc(F)cc1 InChI=1S/C22H25FN2O2/c23-17-6-4-14(5-7-17)22(27)15-8-10-25(11-9-15)20-12-16-2-1-3-19(24)18(16)13-21(20)26/h1-7,15,20-21,26H,8-13,24H2/t20-,21-/m1/s1 FWDSPKZKADMGQL-NHCUHLMSSA-N 50378729 CHEMBL1204043 Vesicular acetylcholine transporter Torpedo californica 7.6 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378729&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197449 160857812 CHEMBL1204043 ZINC49073112 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911080 Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)C(=O)c1cccs1 InChI=1S/C20H24N2O2S/c21-16-4-1-3-14-11-17(18(23)12-15(14)16)22-8-6-13(7-9-22)20(24)19-5-2-10-25-19/h1-5,10,13,17-18,23H,6-9,11-12,21H2/t17-,18-/m1/s1 RAGSKQFVYVAEMF-QZTJIDSGSA-N 50378730 CHEMBL1204044 Vesicular acetylcholine transporter Torpedo californica 134 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378730&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197451 160857813 CHEMBL1204044 ZINC49073114 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911081 Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)C(=O)c1ccc(Br)s1 InChI=1S/C20H23BrN2O2S/c21-19-5-4-18(26-19)20(25)12-6-8-23(9-7-12)16-10-13-2-1-3-15(22)14(13)11-17(16)24/h1-5,12,16-17,24H,6-11,22H2/t16-,17-/m1/s1 ASXDVJHOMBNWGH-IAGOWNOFSA-N 50378731 CHEMBL1204045 Vesicular acetylcholine transporter Torpedo californica 29.4 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378731&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197452 160857814 CHEMBL1204045 ZINC49073116 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911082 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)N1CCCCC1 InChI=1S/C21H30N2O2/c24-20-15-18-7-3-2-6-17(18)14-19(20)22-12-8-16(9-13-22)21(25)23-10-4-1-5-11-23/h2-3,6-7,16,19-20,24H,1,4-5,8-15H2/t19-,20-/m1/s1 PZLMKSJVPSKOHP-WOJBJXKFSA-N 50378732 CHEMBL1204046 Vesicular acetylcholine transporter Torpedo californica 31 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378732&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197672 160857815 CHEMBL1204046 ZINC49113150 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911083 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)N1CCC(CC1)c1ccccc1 InChI=1S/C27H34N2O2/c30-26-19-24-9-5-4-8-23(24)18-25(26)28-14-12-22(13-15-28)27(31)29-16-10-21(11-17-29)20-6-2-1-3-7-20/h1-9,21-22,25-26,30H,10-19H2/t25-,26-/m1/s1 NJBBFTXVKZIPGS-CLJLJLNGSA-N 50378733 CHEMBL1204047 Vesicular acetylcholine transporter Torpedo californica 2.07 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378733&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197674 160857816 CHEMBL1204047 ZINC49067690 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911084 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)N1CCC(Cc2ccccc2)CC1 InChI=1S/C28H36N2O2/c31-27-20-25-9-5-4-8-24(25)19-26(27)29-16-12-23(13-17-29)28(32)30-14-10-22(11-15-30)18-21-6-2-1-3-7-21/h1-9,22-23,26-27,31H,10-20H2/t26-,27-/m1/s1 ZEFMADFFEYXWGY-KAYWLYCHSA-N 50378734 CHEMBL1204048 Vesicular acetylcholine transporter Torpedo californica 2.4 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378734&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197676 160857817 CHEMBL1204048 ZINC49067820 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911085 O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)N1CCN(Cc2ccccc2)CC1 InChI=1S/C27H35N3O2/c31-26-19-24-9-5-4-8-23(24)18-25(26)29-12-10-22(11-13-29)27(32)30-16-14-28(15-17-30)20-21-6-2-1-3-7-21/h1-9,22,25-26,31H,10-20H2/t25-,26-/m1/s1 IDJLCESCKMKJFN-CLJLJLNGSA-N 50378735 CHEMBL1204049 Vesicular acetylcholine transporter Torpedo californica 2.08 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378735&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197784 160857818 CHEMBL1204049 ZINC49067394 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911086 CCOC(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O InChI=1S/C18H25NO3/c1-2-22-18(21)13-7-9-19(10-8-13)16-11-14-5-3-4-6-15(14)12-17(16)20/h3-6,13,16-17,20H,2,7-12H2,1H3/t16-,17-/m1/s1 YZQSMALYRYEBRP-IAGOWNOFSA-N 50378736 CHEMBL1204050 Vesicular acetylcholine transporter Torpedo californica 68.5 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378736&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46197786 160857819 CHEMBL1204050 ZINC49111960 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911087 Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)N1CCCCC1 InChI=1S/C21H31N3O2/c22-18-6-4-5-16-13-20(25)19(14-17(16)18)23-11-7-15(8-12-23)21(26)24-9-2-1-3-10-24/h4-6,15,19-20,25H,1-3,7-14,22H2/t19-,20-/m1/s1 WIKMJKNBZDRQLJ-WOJBJXKFSA-N 50378737 CHEMBL1204051 Vesicular acetylcholine transporter Torpedo californica 89.5 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378737&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46196682 160857820 CHEMBL1204051 ZINC49087618 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50911088 Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)C(=O)N1CCCCC1 InChI=1S/C21H31N3O2/c22-18-6-4-5-16-13-19(20(25)14-17(16)18)23-11-7-15(8-12-23)21(26)24-9-2-1-3-10-24/h4-6,15,19-20,25H,1-3,7-14,22H2/t19-,20-/m1/s1 MYCLGJGKIUDPOO-WOJBJXKFSA-N 50378738 CHEMBL1204052 Vesicular acetylcholine transporter Torpedo californica 447 ChEMBL 10.1021/jm9017916 10.7270/Q2542PJR 20218624 Efange, SM; Khare, AB; von Hohenberg, K; Mach, RH; Parsons, SM; Tu, Z University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378738&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 46196781 160857821 CHEMBL1204052 ZINC49126032 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50014314 OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1 InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2 JWLITFDJHOZOEK-UHFFFAOYSA-N 50009595 1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL89812 Vesicular acetylcholine transporter Torpedo californica 170 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009595&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 369967 103922584 CHEMBL89812 ZINC01628491 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50651401 OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1 InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2 JWLITFDJHOZOEK-UHFFFAOYSA-N 50009595 1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL89812 Vesicular acetylcholine transporter Torpedo californica 328 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009595&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 369967 103922584 CHEMBL89812 ZINC01628491 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50 50652518 OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1 InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2 JWLITFDJHOZOEK-UHFFFAOYSA-N 50009595 1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol::CHEMBL89812 Vesicular acetylcholine transporter Torpedo californica 36.0 ChEMBL 10.1021/jm00112a044 10.7270/Q2XK8DHK 1875353 Efange, SM; Michelson, RH; Dutta, AK; Parsons, SM University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000354&target=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009595&enzyme=Vesicular+acetylcholine+transporter&column=ki&startPg=0&Increment=50&submit=Search 369967 103922584 CHEMBL89812 ZINC01628491 1 MGVTMAVGLAKAAMGKISSAIGERSKRISGAMNEPRRKRKILLVIVCIAMLLDNMLYMVIVPIIPNYLETIRTYKLVYITTPSNGTNGSLLNSTQRAVLERNPNANEDIQIGVLFASKAILQLLSNPFTGTFIDRVGYDIPLLIGLTIMFFSTITFAFGESYAVLFAARSLQGLGSAFADTSGIAMIADKYTEESERTQALGIALAFISFGSLVAPPFGGVLYQFAGKWVPFLVLSFVCLLDGILLLMVVTPFASRTRENMLQGTPIYKLMIDPYIAVVAGALTTCNIPLAFLEPTISNWMKKTMNASEWQMGITWLPAFFPHILGVYITVKLAAKYPNYQWFYGAVGLVIIGASSCTIPACRNFEELIIPLCALCFGIALVDTALLPTLAFLVDIRYVSVYGSVYAIADISYSVAYALGPIMAGQIVHDLGFVQLNLGMGLVNILYAPALLFLRNVCQMKPSLSERNILLEEGPKGLYDTIIMEERKAAKEPHGSSSGNHSVHAVLSDQEGYSE Vesicular acetylcholine transporter VACHT_TETCF P81721 Q9PW50